| blob | b7c0f5d3033eea3b6df358c513157bc2a9b8be32 |
1 [ bondedtypes ]
2 ; bonds angles dihedrals impropers
3 2 2 1 2
5 [ ALA ]
6 [ atoms ]
7 N N -0.280 0
8 H H 0.280 0
9 CA CH1 0.000 1
10 CB CH3 0.000 1
11 C C 0.380 2
12 O O -0.380 2
13 [ bonds ]
14 N H gb_2
15 N CA gb_20
16 CA C gb_26
17 C O gb_4
18 C +N gb_9
19 CA CB gb_26
20 [ angles ]
21 ; ai aj ak gromos type
22 -C N H ga_31
23 H N CA ga_17
24 -C N CA ga_30
25 N CA C ga_12
26 CA C +N ga_18
27 CA C O ga_29
28 O C +N ga_32
29 N CA CB ga_12
30 C CA CB ga_12
31 [ impropers ]
32 ; ai aj ak al gromos type
33 N -C CA H gi_1
34 C CA +N O gi_1
35 CA N C CB gi_2
36 [ dihedrals ]
37 ; ai aj ak al gromos type
38 -CA -C N CA gd_4
39 -C N CA C gd_19
40 N CA C +N gd_20
41 [ ARG ]
42 [ atoms ]
43 N N -0.280 0
44 H H 0.280 0
45 CA CH1 0.000 1
46 CB CH2 0.000 1
47 CG CH2 0.000 1
48 CD CH2 0.000 2
49 NE NE -0.240 2
50 HE H 0.240 2
51 CZ C 0.000 2
52 NH1 NZ -0.480 2
53 HH11 H 0.240 2
54 HH12 H 0.240 2
55 NH2 NZ -0.480 2
56 HH21 H 0.240 2
57 HH22 H 0.240 2
58 C C 0.380 3
59 O O -0.380 3
60 [ bonds ]
61 N H gb_2
62 N CA gb_20
63 CA C gb_26
64 C O gb_4
65 C +N gb_9
66 CA CB gb_26
67 CB CG gb_26
68 CG CD gb_26
69 CD NE gb_20
70 NE HE gb_2
71 NE CZ gb_10
72 CZ NH1 gb_10
73 CZ NH2 gb_10
74 NH1 HH11 gb_2
75 NH1 HH12 gb_2
76 NH2 HH21 gb_2
77 NH2 HH22 gb_2
78 [ angles ]
79 ; ai aj ak gromos type
80 -C N H ga_31
81 H N CA ga_17
82 -C N CA ga_30
83 N CA C ga_12
84 CA C +N ga_18
85 CA C O ga_29
86 O C +N ga_32
87 N CA CB ga_12
88 C CA CB ga_12
89 CA CB CG ga_14
90 CB CG CD ga_14
91 CG CD NE ga_12
92 CD NE HE ga_19
93 HE NE CZ ga_22
94 CD NE CZ ga_32
95 NE CZ NH1 ga_27
96 NE CZ NH2 ga_27
97 NH1 CZ NH2 ga_27
98 CZ NH1 HH11 ga_22
99 CZ NH1 HH12 ga_22
100 HH11 NH1 HH12 ga_23
101 CZ NH2 HH21 ga_22
102 CZ NH2 HH22 ga_22
103 HH21 NH2 HH22 ga_23
104 [ impropers ]
105 ; ai aj ak al gromos type
106 N -C CA H gi_1
107 C CA +N O gi_1
108 CA N C CB gi_2
109 NE CD CZ HE gi_1
110 CZ NH1 NH2 NE gi_1
111 NH1 HH11 HH12 CZ gi_1
112 NH2 HH21 HH22 CZ gi_1
113 [ dihedrals ]
114 ; ai aj ak al gromos type
115 -CA -C N CA gd_4
116 -C N CA C gd_19
117 N CA C +N gd_20
118 N CA CB CG gd_17
119 CA CB CG CD gd_17
120 CB CG CD NE gd_17
121 CG CD NE CZ gd_19
122 CD NE CZ NH1 gd_4
123 NE CZ NH1 HH11 gd_4
124 NE CZ NH2 HH21 gd_4
125 [ ARGN ]
126 [ atoms ]
127 N N -0.280 0
128 H H 0.280 0
129 CA CH1 0.000 1
130 CB CH2 0.000 1
131 CG CH2 0.000 2
132 CD CH2 0.000 2
133 NE NE -0.280 3
134 HE H 0.280 3
135 CZ C 0.150 4
136 NH1 NE -0.548 4
137 HH1 H 0.398 4
138 NH2 NZ -0.830 5
139 HH21 H 0.415 5
140 HH22 H 0.415 5
141 C C 0.380 6
142 O O -0.380 6
143 [ bonds ]
144 N H gb_2
145 N CA gb_20
146 CA C gb_26
147 C O gb_4
148 C +N gb_9
149 CA CB gb_26
150 CB CG gb_26
151 CG CD gb_26
152 CD NE gb_20
153 NE HE gb_2
154 NE CZ gb_10
155 CZ NH1 gb_10
156 CZ NH2 gb_10
157 NH1 HH1 gb_2
158 NH2 HH21 gb_2
159 NH2 HH22 gb_2
160 [ angles ]
161 ; ai aj ak gromos type
162 -C N H ga_31
163 H N CA ga_17
164 -C N CA ga_30
165 N CA C ga_12
166 CA C +N ga_18
167 CA C O ga_29
168 O C +N ga_32
169 N CA CB ga_12
170 C CA CB ga_12
171 CA CB CG ga_14
172 CB CG CD ga_14
173 CG CD NE ga_12
174 CD NE HE ga_19
175 HE NE CZ ga_22
176 CD NE CZ ga_32
177 NE CZ NH1 ga_27
178 NE CZ NH2 ga_27
179 NH1 CZ NH2 ga_27
180 CZ NH1 HH1 ga_22
181 CZ NH2 HH21 ga_22
182 CZ NH2 HH22 ga_22
183 HH21 NH2 HH22 ga_23
184 [ impropers ]
185 ; ai aj ak al gromos type
186 N -C CA H gi_1
187 C CA +N O gi_1
188 CA N C CB gi_2
189 NE CD CZ HE gi_1
190 CZ NH1 NH2 NE gi_1
191 NH2 HH21 HH22 CZ gi_1
192 [ dihedrals ]
193 ; ai aj ak al gromos type
194 -CA -C N CA gd_4
195 -C N CA C gd_19
196 N CA C +N gd_20
197 N CA CB CG gd_17
198 CA CB CG CD gd_17
199 CB CG CD NE gd_17
200 CG CD NE CZ gd_19
201 CD NE CZ NH1 gd_4
202 NE CZ NH1 HH1 gd_4
203 NE CZ NH2 HH21 gd_4
204 [ ASN ]
205 [ atoms ]
206 N N -0.280 0
207 H H 0.280 0
208 CA CH1 0.000 1
209 CB CH2 0.000 1
210 CG C 0.380 2
211 OD1 O -0.380 2
212 ND2 NT -0.830 3
213 HD21 H 0.415 3
214 HD22 H 0.415 3
215 C C 0.380 4
216 O O -0.380 4
217 [ bonds ]
218 N H gb_2
219 N CA gb_20
220 CA C gb_26
221 C O gb_4
222 C +N gb_9
223 CA CB gb_26
224 CB CG gb_26
225 CG OD1 gb_4
226 CG ND2 gb_8
227 ND2 HD21 gb_2
228 ND2 HD22 gb_2
229 [ angles ]
230 ; ai aj ak gromos type
231 -C N H ga_31
232 H N CA ga_17
233 -C N CA ga_30
234 N CA C ga_12
235 CA C +N ga_18
236 CA C O ga_29
237 O C +N ga_32
238 N CA CB ga_12
239 C CA CB ga_12
240 CA CB CG ga_14
241 CB CG OD1 ga_29
242 CB CG ND2 ga_18
243 OD1 CG ND2 ga_32
244 CG ND2 HD21 ga_22
245 CG ND2 HD22 ga_22
246 HD21 ND2 HD22 ga_23
247 [ impropers ]
248 ; ai aj ak al gromos type
249 N -C CA H gi_1
250 C CA +N O gi_1
251 CA N C CB gi_2
252 CG OD1 ND2 CB gi_1
253 ND2 HD21 HD22 CG gi_1
254 [ dihedrals ]
255 ; ai aj ak al gromos type
256 -CA -C N CA gd_4
257 -C N CA C gd_19
258 N CA C +N gd_20
259 N CA CB CG gd_17
260 CA CB CG ND2 gd_20
261 CB CG ND2 HD21 gd_4
262 [ ASN1 ]
263 [ atoms ]
264 N N -0.280 0
265 H H 0.280 0
266 CA CH1 0.000 1
267 CB CH2 0.000 1
268 CG C 0.380 2
269 OD1 O -0.380 2
270 ND2 NL -0.830 3
271 HD21 H 0.415 3
272 HD22 H 0.415 3
273 C C 0.380 4
274 O O -0.380 4
275 [ bonds ]
276 N H gb_2
277 N CA gb_20
278 CA C gb_26
279 C O gb_4
280 C +N gb_9
281 CA CB gb_26
282 CB CG gb_26
283 CG OD1 gb_4
284 CG ND2 gb_8
285 ND2 HD21 gb_2
286 ND2 HD22 gb_2
287 [ angles ]
288 ; ai aj ak gromos type
289 -C N H ga_31
290 H N CA ga_17
291 -C N CA ga_30
292 N CA C ga_12
293 CA C +N ga_18
294 CA C O ga_29
295 O C +N ga_32
296 N CA CB ga_12
297 C CA CB ga_12
298 CA CB CG ga_14
299 CB CG OD1 ga_29
300 CB CG ND2 ga_18
301 OD1 CG ND2 ga_32
302 CG ND2 HD21 ga_22
303 CG ND2 HD22 ga_22
304 HD21 ND2 HD22 ga_23
305 [ impropers ]
306 ; ai aj ak al gromos type
307 N -C CA H gi_1
308 C CA +N O gi_1
309 CA N C CB gi_2
310 CG OD1 ND2 CB gi_1
311 ND2 HD21 HD22 CG gi_1
312 [ dihedrals ]
313 ; ai aj ak al gromos type
314 -CA -C N CA gd_4
315 -C N CA C gd_19
316 N CA C +N gd_20
317 N CA CB CG gd_17
318 CA CB CG ND2 gd_20
319 CB CG ND2 HD21 gd_4
320 [ ASP ]
321 [ atoms ]
322 N N -0.280 0
323 H H 0.280 0
324 CA CH1 0.000 1
325 CB CH2 0.000 1
326 CG C 0.720 2
327 OD1 OM -0.360 2
328 OD2 OM -0.360 2
329 C C 0.380 3
330 O O -0.380 3
331 [ bonds ]
332 N H gb_2
333 N CA gb_20
334 CA C gb_26
335 C O gb_4
336 C +N gb_9
337 CA CB gb_26
338 CB CG gb_26
339 CG OD1 gb_5
340 CG OD2 gb_5
341 [ angles ]
342 ; ai aj ak gromos type
343 -C N H ga_31
344 H N CA ga_17
345 -C N CA ga_30
346 N CA C ga_12
347 CA C +N ga_18
348 CA C O ga_29
349 O C +N ga_32
350 N CA CB ga_12
351 C CA CB ga_12
352 CA CB CG ga_14
353 CB CG OD1 ga_21
354 CB CG OD2 ga_21
355 OD1 CG OD2 ga_37
356 [ impropers ]
357 ; ai aj ak al gromos type
358 N -C CA H gi_1
359 C CA +N O gi_1
360 CA N C CB gi_2
361 CG OD1 OD2 CB gi_1
362 [ dihedrals ]
363 ; ai aj ak al gromos type
364 -CA -C N CA gd_4
365 -C N CA C gd_19
366 N CA C +N gd_20
367 N CA CB CG gd_17
368 CA CB CG OD1 gd_20
369 [ ASPH ]
370 [ atoms ]
371 N N -0.280 0
372 H H 0.280 0
373 CA CH1 0.000 1
374 CB CH2 0.000 1
375 CG C 0.530 2
376 OD1 O -0.380 2
377 OD2 OA -0.548 2
378 HD2 H 0.398 2
379 C C 0.380 3
380 O O -0.380 3
381 [ bonds ]
382 N H gb_2
383 N CA gb_20
384 CA C gb_26
385 C O gb_4
386 C +N gb_9
387 CA CB gb_26
388 CB CG gb_26
389 CG OD1 gb_4
390 CG OD2 gb_12
391 OD2 HD2 gb_1
392 [ angles ]
393 ; ai aj ak gromos type
394 -C N H ga_31
395 H N CA ga_17
396 -C N CA ga_30
397 N CA C ga_12
398 CA C +N ga_18
399 CA C O ga_29
400 O C +N ga_32
401 N CA CB ga_12
402 C CA CB ga_12
403 CA CB CG ga_14
404 CB CG OD1 ga_29
405 CB CG OD2 ga_18
406 OD1 CG OD2 ga_32
407 CG OD2 HD2 ga_11
408 [ impropers ]
409 ; ai aj ak al gromos type
410 N -C CA H gi_1
411 C CA +N O gi_1
412 CA N C CB gi_2
413 CG OD1 OD2 CB gi_1
414 [ dihedrals ]
415 ; ai aj ak al gromos type
416 -CA -C N CA gd_4
417 -C N CA C gd_19
418 N CA C +N gd_20
419 N CA CB CG gd_17
420 CA CB CG OD2 gd_20
421 CB CG OD2 HD2 gd_3
422 [ CYS ]
423 [ atoms ]
424 N N -0.280 0
425 H H 0.280 0
426 CA CH1 0.000 1
427 CB CH2 0.200 2
428 SG S -0.200 2
429 C C 0.380 3
430 O O -0.380 3
431 [ bonds ]
432 N H gb_2
433 N CA gb_20
434 CA C gb_26
435 C O gb_4
436 C +N gb_9
437 CA CB gb_26
438 CB SG gb_30
439 [ angles ]
440 ; ai aj ak gromos type
441 -C N H ga_31
442 H N CA ga_17
443 -C N CA ga_30
444 N CA C ga_12
445 CA C +N ga_18
446 CA C O ga_29
447 O C +N ga_32
448 N CA CB ga_12
449 C CA CB ga_12
450 CA CB SG ga_15
451 [ impropers ]
452 ; ai aj ak al gromos type
453 N -C CA H gi_1
454 C CA +N O gi_1
455 CA N C CB gi_2
456 [ dihedrals ]
457 ; ai aj ak al gromos type
458 -CA -C N CA gd_4
459 -C N CA C gd_19
460 N CA C +N gd_20
461 N CA CB SG gd_17
462 [ CYSH ]
463 [ atoms ]
464 N N -0.280 0
465 H H 0.280 0
466 CA CH1 0.000 1
467 CB CH2 0.000 1
468 SG S -0.064 2
469 HG H 0.064 2
470 C C 0.380 3
471 O O -0.380 3
472 [ bonds ]
473 N H gb_2
474 N CA gb_20
475 CA C gb_26
476 C O gb_4
477 C +N gb_9
478 CA CB gb_26
479 CB SG gb_30
480 SG HG gb_7
481 [ angles ]
482 ; ai aj ak gromos type
483 -C N H ga_31
484 H N CA ga_17
485 -C N CA ga_30
486 N CA C ga_12
487 CA C +N ga_18
488 CA C O ga_29
489 O C +N ga_32
490 N CA CB ga_12
491 C CA CB ga_12
492 CA CB SG ga_15
493 CB SG HG ga_2
494 [ impropers ]
495 ; ai aj ak al gromos type
496 N -C CA H gi_1
497 C CA +N O gi_1
498 CA N C CB gi_2
499 [ dihedrals ]
500 ; ai aj ak al gromos type
501 -CA -C N CA gd_4
502 -C N CA C gd_19
503 N CA C +N gd_20
504 N CA CB SG gd_17
505 CA CB SG HG gd_13
506 [ CYS1 ]
507 [ atoms ]
508 N N -0.280 0
509 H H 0.280 0
510 CA CH1 0.000 1
511 CB CH2 0.000 1
512 SG S 0.000 1
513 C C 0.380 2
514 O O -0.380 2
515 [ bonds ]
516 N H gb_2
517 N CA gb_20
518 CA C gb_26
519 C O gb_4
520 C +N gb_9
521 CA CB gb_26
522 CB SG gb_30
523 [ angles ]
524 ; ai aj ak gromos type
525 -C N H ga_31
526 H N CA ga_17
527 -C N CA ga_30
528 N CA C ga_12
529 CA C +N ga_18
530 CA C O ga_29
531 O C +N ga_32
532 N CA CB ga_12
533 C CA CB ga_12
534 CA CB SG ga_15
535 CB SG NH2 ga_5
536 SG NH2 HH21 ga_5
537 [ impropers ]
538 ; ai aj ak al gromos type
539 N -C CA H gi_1
540 C CA +N O gi_1
541 CA N C CB gi_2
542 [ dihedrals ]
543 ; ai aj ak al gromos type
544 -CA -C N CA gd_4
545 -C N CA C gd_19
546 N CA C +N gd_20
547 N CA CB SG gd_17
548 CA CB SG NH2 gd_13
549 CB SG NH2 HH21 gd_10
550 SG NH2 HH21 HH22 gd_13
551 [ CYS2 ]
552 [ atoms ]
553 N N -0.280 0
554 H H 0.280 0
555 CA CH1 0.000 1
556 CB CH2 0.000 1
557 SG S 0.000 1
558 C C 0.380 2
559 O O -0.380 2
560 [ bonds ]
561 N H gb_2
562 N CA gb_20
563 CA C gb_26
564 C O gb_4
565 C +N gb_9
566 CA CB gb_26
567 CB SG gb_30
568 [ angles ]
569 ; ai aj ak gromos type
570 -C N H ga_31
571 H N CA ga_17
572 -C N CA ga_30
573 N CA C ga_12
574 CA C +N ga_18
575 CA C O ga_29
576 O C +N ga_32
577 N CA CB ga_12
578 C CA CB ga_12
579 CA CB SG ga_15
580 [ impropers ]
581 ; ai aj ak al gromos type
582 N -C CA H gi_1
583 C CA +N O gi_1
584 CA N C CB gi_2
585 [ dihedrals ]
586 ; ai aj ak al gromos type
587 -CA -C N CA gd_4
588 -C N CA C gd_19
589 N CA C +N gd_20
590 N CA CB SG gd_17
591 [ GLN ]
592 [ atoms ]
593 N N -0.280 0
594 H H 0.280 0
595 CA CH1 0.000 1
596 CB CH2 0.000 1
597 CG CH2 0.000 1
598 CD C 0.380 2
599 OE1 O -0.380 2
600 NE2 NT -0.830 3
601 HE21 H 0.415 3
602 HE22 H 0.415 3
603 C C 0.380 4
604 O O -0.380 4
605 [ bonds ]
606 N H gb_2
607 N CA gb_20
608 CA C gb_26
609 C O gb_4
610 C +N gb_9
611 CA CB gb_26
612 CB CG gb_26
613 CG CD gb_26
614 CD OE1 gb_4
615 CD NE2 gb_8
616 NE2 HE21 gb_2
617 NE2 HE22 gb_2
618 [ angles ]
619 ; ai aj ak gromos type
620 -C N H ga_31
621 H N CA ga_17
622 -C N CA ga_30
623 N CA C ga_12
624 CA C +N ga_18
625 CA C O ga_29
626 O C +N ga_32
627 N CA CB ga_12
628 C CA CB ga_12
629 CA CB CG ga_14
630 CB CG CD ga_14
631 CG CD OE1 ga_29
632 CG CD NE2 ga_18
633 OE1 CD NE2 ga_32
634 CD NE2 HE21 ga_22
635 CD NE2 HE22 ga_22
636 HE21 NE2 HE22 ga_23
637 [ impropers ]
638 ; ai aj ak al gromos type
639 N -C CA H gi_1
640 C CA +N O gi_1
641 CA N C CB gi_2
642 CD OE1 NE2 CG gi_1
643 NE2 HE21 HE22 CD gi_1
644 [ dihedrals ]
645 ; ai aj ak al gromos type
646 -CA -C N CA gd_4
647 -C N CA C gd_19
648 N CA C +N gd_20
649 N CA CB CG gd_17
650 CA CB CG CD gd_17
651 CB CG CD NE2 gd_20
652 CG CD NE2 HE21 gd_4
653 [ GLU ]
654 [ atoms ]
655 N N -0.280 0
656 H H 0.280 0
657 CA CH1 0.000 1
658 CB CH2 0.000 1
659 CG CH2 0.000 1
660 CD C 0.720 2
661 OE1 OM -0.360 2
662 OE2 OM -0.360 2
663 C C 0.380 3
664 O O -0.380 3
665 [ bonds ]
666 N H gb_2
667 N CA gb_20
668 CA C gb_26
669 C O gb_4
670 C +N gb_9
671 CA CB gb_26
672 CB CG gb_26
673 CG CD gb_26
674 CD OE1 gb_5
675 CD OE2 gb_5
676 [ angles ]
677 ; ai aj ak gromos type
678 -C N H ga_31
679 H N CA ga_17
680 -C N CA ga_30
681 N CA C ga_12
682 CA C +N ga_18
683 CA C O ga_29
684 O C +N ga_32
685 N CA CB ga_12
686 C CA CB ga_12
687 CA CB CG ga_14
688 CB CG CD ga_14
689 CG CD OE1 ga_21
690 CG CD OE2 ga_21
691 OE1 CD OE2 ga_37
692 [ impropers ]
693 ; ai aj ak al gromos type
694 N -C CA H gi_1
695 C CA +N O gi_1
696 CA N C CB gi_2
697 CD OE1 OE2 CG gi_1
698 [ dihedrals ]
699 ; ai aj ak al gromos type
700 -CA -C N CA gd_4
701 -C N CA C gd_19
702 N CA C +N gd_20
703 N CA CB CG gd_17
704 CA CB CG CD gd_17
705 CB CG CD OE2 gd_20
706 [ GLUH ]
707 [ atoms ]
708 N N -0.280 0
709 H H 0.280 0
710 CA CH1 0.000 1
711 CB CH2 0.000 1
712 CG CH2 0.000 1
713 CD C 0.530 2
714 OE1 O -0.380 2
715 OE2 OA -0.548 2
716 HE2 H 0.398 2
717 C C 0.380 3
718 O O -0.380 3
719 [ bonds ]
720 N H gb_2
721 N CA gb_20
722 CA C gb_26
723 C O gb_4
724 C +N gb_9
725 CA CB gb_26
726 CB CG gb_26
727 CG CD gb_26
728 CD OE1 gb_4
729 CD OE2 gb_12
730 OE2 HE2 gb_1
731 [ angles ]
732 ; ai aj ak gromos type
733 -C N H ga_31
734 H N CA ga_17
735 -C N CA ga_30
736 N CA C ga_12
737 CA C +N ga_18
738 CA C O ga_29
739 O C +N ga_32
740 N CA CB ga_12
741 C CA CB ga_12
742 CA CB CG ga_14
743 CB CG CD ga_14
744 CG CD OE1 ga_29
745 CG CD OE2 ga_18
746 OE1 CD OE2 ga_32
747 CD OE2 HE2 ga_11
748 [ impropers ]
749 ; ai aj ak al gromos type
750 N -C CA H gi_1
751 C CA +N O gi_1
752 CA N C CB gi_2
753 CD OE1 OE2 CG gi_1
754 [ dihedrals ]
755 ; ai aj ak al gromos type
756 -CA -C N CA gd_4
757 -C N CA C gd_19
758 N CA C +N gd_20
759 N CA CB CG gd_17
760 CA CB CG CD gd_17
761 CB CG CD OE2 gd_20
762 CG CD OE2 HE2 gd_3
763 [ GLY ]
764 [ atoms ]
765 N N -0.280 0
766 H H 0.280 0
767 CA CH2 0.000 1
768 C C 0.380 2
769 O O -0.380 2
770 [ bonds ]
771 N H gb_2
772 N CA gb_20
773 CA C gb_26
774 C O gb_4
775 C +N gb_9
776 [ angles ]
777 ; ai aj ak gromos type
778 -C N H ga_31
779 H N CA ga_17
780 -C N CA ga_30
781 N CA C ga_12
782 CA C +N ga_18
783 CA C O ga_29
784 O C +N ga_32
785 [ impropers ]
786 ; ai aj ak al gromos type
787 N -C CA H gi_1
788 C CA +N O gi_1
789 [ dihedrals ]
790 ; ai aj ak al gromos type
791 -CA -C N CA gd_4
792 -C N CA C gd_19
793 N CA C +N gd_20
794 [ HISA ]
795 [ atoms ]
796 N N -0.280 0
797 H H 0.280 0
798 CA CH1 0.000 1
799 CB CH2 0.000 1
800 CG C 0.000 2
801 ND1 NR 0.000 2
802 HD1 H 0.190 2
803 CD2 CR1 0.130 2
804 CE1 CR1 0.260 2
805 NE2 NR -0.580 2
806 C C 0.380 3
807 O O -0.380 3
808 [ bonds ]
809 N H gb_2
810 N CA gb_20
811 CA C gb_26
812 C O gb_4
813 C +N gb_9
814 CA CB gb_26
815 CB CG gb_26
816 CG ND1 gb_9
817 CG CD2 gb_9
818 ND1 HD1 gb_2
819 ND1 CE1 gb_9
820 CD2 NE2 gb_9
821 CE1 NE2 gb_9
822 [ angles ]
823 ; ai aj ak gromos type
824 -C N H ga_31
825 H N CA ga_17
826 -C N CA ga_30
827 N CA C ga_12
828 CA C +N ga_18
829 CA C O ga_29
830 O C +N ga_32
831 N CA CB ga_12
832 C CA CB ga_12
833 CA CB CG ga_14
834 CB CG ND1 ga_36
835 CB CG CD2 ga_36
836 ND1 CG CD2 ga_6
837 CG ND1 HD1 ga_35
838 CG ND1 CE1 ga_6
839 HD1 ND1 CE1 ga_35
840 CG CD2 NE2 ga_6
841 ND1 CE1 NE2 ga_6
842 CD2 NE2 CE1 ga_6
843 [ impropers ]
844 ; ai aj ak al gromos type
845 N -C CA H gi_1
846 C CA +N O gi_1
847 CA N C CB gi_2
848 CG ND1 CD2 CB gi_1
849 CD2 CG ND1 CE1 gi_1
850 ND1 CG CD2 NE2 gi_1
851 CG ND1 CE1 NE2 gi_1
852 CG CD2 NE2 CE1 gi_1
853 CD2 NE2 CE1 ND1 gi_1
854 ND1 CG CE1 HD1 gi_1
855 [ dihedrals ]
856 ; ai aj ak al gromos type
857 -CA -C N CA gd_4
858 -C N CA C gd_19
859 N CA C +N gd_20
860 N CA CB CG gd_17
861 CA CB CG ND1 gd_20
862 [ HISB ]
863 [ atoms ]
864 N N -0.280 0
865 H H 0.280 0
866 CA CH1 0.000 1
867 CB CH2 0.000 1
868 CG C 0.130 2
869 ND1 NR -0.580 2
870 CD2 CR1 0.000 2
871 CE1 CR1 0.260 2
872 NE2 NR 0.000 2
873 HE2 H 0.190 2
874 C C 0.380 3
875 O O -0.380 3
876 [ bonds ]
877 N H gb_2
878 N CA gb_20
879 CA C gb_26
880 C O gb_4
881 C +N gb_9
882 CA CB gb_26
883 CB CG gb_26
884 CG ND1 gb_9
885 CG CD2 gb_9
886 ND1 CE1 gb_9
887 CD2 NE2 gb_9
888 CE1 NE2 gb_9
889 NE2 HE2 gb_2
890 [ angles ]
891 ; ai aj ak gromos type
892 -C N H ga_31
893 H N CA ga_17
894 -C N CA ga_30
895 N CA C ga_12
896 CA C +N ga_18
897 CA C O ga_29
898 O C +N ga_32
899 N CA CB ga_12
900 C CA CB ga_12
901 CA CB CG ga_14
902 CB CG ND1 ga_36
903 CB CG CD2 ga_36
904 ND1 CG CD2 ga_6
905 CG ND1 CE1 ga_6
906 CG CD2 NE2 ga_6
907 ND1 CE1 NE2 ga_6
908 CD2 NE2 CE1 ga_6
909 CD2 NE2 HE2 ga_35
910 CE1 NE2 HE2 ga_35
911 [ impropers ]
912 ; ai aj ak al gromos type
913 N -C CA H gi_1
914 C CA +N O gi_1
915 CA N C CB gi_2
916 CG ND1 CD2 CB gi_1
917 CD2 CG ND1 CE1 gi_1
918 ND1 CG CD2 NE2 gi_1
919 CG ND1 CE1 NE2 gi_1
920 CG CD2 NE2 CE1 gi_1
921 CD2 NE2 CE1 ND1 gi_1
922 NE2 CD2 CE1 HE2 gi_1
923 [ dihedrals ]
924 ; ai aj ak al gromos type
925 -CA -C N CA gd_4
926 -C N CA C gd_19
927 N CA C +N gd_20
928 N CA CB CG gd_17
929 CA CB CG ND1 gd_20
930 [ HISH ]
931 [ atoms ]
932 N N -0.280 0
933 H H 0.280 0
934 CA CH1 0.000 1
935 CB CH2 0.000 1
936 CG C 0.000 2
937 ND1 NR -0.300 2
938 HD1 H 0.300 2
939 CD2 CR1 0.000 2
940 CE1 CR1 0.000 2
941 NE2 NR -0.300 2
942 HE2 H 0.300 2
943 C C 0.380 3
944 O O -0.380 3
945 [ bonds ]
946 N H gb_2
947 N CA gb_20
948 CA C gb_26
949 C O gb_4
950 C +N gb_9
951 CA CB gb_26
952 CB CG gb_26
953 CG ND1 gb_9
954 CG CD2 gb_9
955 ND1 HD1 gb_2
956 ND1 CE1 gb_9
957 CD2 NE2 gb_9
958 CE1 NE2 gb_9
959 NE2 HE2 gb_2
960 [ angles ]
961 ; ai aj ak gromos type
962 -C N H ga_31
963 H N CA ga_17
964 -C N CA ga_30
965 N CA C ga_12
966 CA C +N ga_18
967 CA C O ga_29
968 O C +N ga_32
969 N CA CB ga_12
970 C CA CB ga_12
971 CA CB CG ga_14
972 CB CG ND1 ga_36
973 CB CG CD2 ga_36
974 ND1 CG CD2 ga_6
975 CG ND1 HD1 ga_35
976 CG ND1 CE1 ga_6
977 HD1 ND1 CE1 ga_35
978 CG CD2 NE2 ga_6
979 ND1 CE1 NE2 ga_6
980 CD2 NE2 CE1 ga_6
981 CD2 NE2 HE2 ga_35
982 CE1 NE2 HE2 ga_35
983 [ impropers ]
984 ; ai aj ak al gromos type
985 N -C CA H gi_1
986 C CA +N O gi_1
987 CA N C CB gi_2
988 CG ND1 CD2 CB gi_1
989 CD2 CG ND1 CE1 gi_1
990 ND1 CG CD2 NE2 gi_1
991 CG ND1 CE1 NE2 gi_1
992 CG CD2 NE2 CE1 gi_1
993 CD2 NE2 CE1 ND1 gi_1
994 ND1 CG CE1 HD1 gi_1
995 NE2 CD2 CE1 HE2 gi_1
996 [ dihedrals ]
997 ; ai aj ak al gromos type
998 -CA -C N CA gd_4
999 -C N CA C gd_19
1000 N CA C +N gd_20
1001 N CA CB CG gd_17
1002 CA CB CG ND1 gd_20
1003 [ HIS1 ]
1004 [ atoms ]
1005 N N -0.280 0
1006 H H 0.280 0
1007 CA CH1 0.000 1
1008 CB CH2 0.000 1
1009 CG C 0.000 2
1010 ND1 NR 0.000 2
1011 HD1 H 0.190 2
1012 CD2 CR1 0.130 2
1013 CE1 CR1 0.260 2
1014 NE2 NR -0.580 2
1015 C C 0.380 3
1016 O O -0.380 3
1017 [ bonds ]
1018 N H gb_2
1019 N CA gb_20
1020 CA C gb_26
1021 C O gb_4
1022 C +N gb_9
1023 CA CB gb_26
1024 CB CG gb_26
1025 CG ND1 gb_9
1026 CG CD2 gb_9
1027 ND1 HD1 gb_2
1028 ND1 CE1 gb_9
1029 CD2 NE2 gb_9
1030 CE1 NE2 gb_9
1031 [ angles ]
1032 ; ai aj ak gromos type
1033 -C N H ga_31
1034 H N CA ga_17
1035 -C N CA ga_30
1036 N CA C ga_12
1037 CA C +N ga_18
1038 CA C O ga_29
1039 O C +N ga_32
1040 N CA CB ga_12
1041 C CA CB ga_12
1042 CA CB CG ga_14
1043 CB CG ND1 ga_36
1044 CB CG CD2 ga_36
1045 ND1 CG CD2 ga_6
1046 CG ND1 HD1 ga_35
1047 CG ND1 CE1 ga_6
1048 HD1 ND1 CE1 ga_35
1049 CG CD2 NE2 ga_6
1050 ND1 CE1 NE2 ga_6
1051 CD2 NE2 CE1 ga_6
1052 CD2 NE2 O ga_33
1053 CE1 NE2 O ga_33
1054 NE2 O C ga_16
1055 NE2 O HH22 ga_16
1056 NE2 O O ga_16
1057 NE2 O O ga_16
1058 [ impropers ]
1059 ; ai aj ak al gromos type
1060 N -C CA H gi_1
1061 C CA +N O gi_1
1062 CA N C CB gi_2
1063 CG ND1 CD2 CB gi_1
1064 CD2 CG ND1 CE1 gi_1
1065 ND1 CG CD2 NE2 gi_1
1066 CG ND1 CE1 NE2 gi_1
1067 CG CD2 NE2 CE1 gi_1
1068 CD2 NE2 CE1 ND1 gi_1
1069 ND1 CG CE1 HD1 gi_1
1070 [ dihedrals ]
1071 ; ai aj ak al gromos type
1072 -CA -C N CA gd_4
1073 -C N CA C gd_19
1074 N CA C +N gd_20
1075 N CA CB CG gd_17
1076 CA CB CG ND1 gd_20
1077 CD2 NE2 O C gd_18
1078 [ HYP ]
1079 [ atoms ]
1080 N N 0.000 0
1081 CA CH1 0.000 1
1082 CB CH2 0.000 1
1083 CG CH1 0.150 2
1084 OD1 OA -0.548 2
1085 HD1 H 0.398 2
1086 CD2 CH2 0.000 3
1087 C C 0.380 4
1088 O O -0.380 4
1089 [ bonds ]
1090 N CA gb_20
1091 CA C gb_26
1092 C O gb_4
1093 C +N gb_9
1094 CA CB gb_26
1095 CB CG gb_26
1096 CG OD1 gb_17
1097 OD1 HD1 gb_1
1098 CG CD2 gb_26
1099 CD2 N gb_20
1100 [ angles ]
1101 ; ai aj ak gromos type
1102 -C N CA ga_30
1103 N CA C ga_12
1104 CA C +N ga_18
1105 CA C O ga_29
1106 O C +N ga_32
1107 N CA CB ga_12
1108 C CA CB ga_12
1109 CA CB CG ga_12
1110 CB CG OD1 ga_12
1111 CB CG CD2 ga_12
1112 CG OD1 HD1 ga_11
1113 OD1 CG CD2 ga_12
1114 CG CD2 N ga_12
1115 CD2 N CA ga_20
1116 -C N CD2 ga_30
1117 [ impropers ]
1118 ; ai aj ak al gromos type
1119 N -C CA CD2 gi_1
1120 C CA +N O gi_1
1121 CA N C CB gi_2
1122 CG CD2 CB OD1 gi_2
1123 [ dihedrals ]
1124 ; ai aj ak al gromos type
1125 -CA -C N CA gd_4
1126 -C N CA C gd_19
1127 N CA C +N gd_20
1128 N CA CB CG gd_17
1129 CA CB CG CD2 gd_17
1130 CB CG CD2 N gd_17
1131 CG CD2 N CA gd_19
1132 CB CG OD1 HD1 gd_12
1133 O O O O gd_
1134 [ ILE ]
1135 [ atoms ]
1136 N N -0.280 0
1137 H H 0.280 0
1138 CA CH1 0.000 1
1139 CB CH1 0.000 2
1140 CG1 CH2 0.000 2
1141 CG2 CH3 0.000 2
1142 CD CH3 0.000 2
1143 C C 0.380 3
1144 O O -0.380 3
1145 [ bonds ]
1146 N H gb_2
1147 N CA gb_20
1148 CA C gb_26
1149 C O gb_4
1150 C +N gb_9
1151 CA CB gb_26
1152 CB CG1 gb_26
1153 CB CG2 gb_26
1154 CG1 CD gb_26
1155 [ angles ]
1156 ; ai aj ak gromos type
1157 -C N H ga_31
1158 H N CA ga_17
1159 -C N CA ga_30
1160 N CA C ga_12
1161 CA C +N ga_18
1162 CA C O ga_29
1163 O C +N ga_32
1164 N CA CB ga_12
1165 C CA CB ga_12
1166 CA CB CG1 ga_14
1167 CA CB CG2 ga_14
1168 CG1 CB CG2 ga_14
1169 CB CG1 CD ga_14
1170 [ impropers ]
1171 ; ai aj ak al gromos type
1172 N -C CA H gi_1
1173 C CA +N O gi_1
1174 CA N C CB gi_2
1175 CB CG1 CG2 CA gi_2
1176 [ dihedrals ]
1177 ; ai aj ak al gromos type
1178 -CA -C N CA gd_4
1179 -C N CA C gd_19
1180 N CA C +N gd_20
1181 N CA CB CG1 gd_17
1182 CA CB CG1 CD gd_17
1183 [ LEU ]
1184 [ atoms ]
1185 N N -0.280 0
1186 H H 0.280 0
1187 CA CH1 0.000 1
1188 CB CH2 0.000 1
1189 CG CH1 0.000 2
1190 CD1 CH3 0.000 2
1191 CD2 CH3 0.000 2
1192 C C 0.380 3
1193 O O -0.380 3
1194 [ bonds ]
1195 N H gb_2
1196 N CA gb_20
1197 CA C gb_26
1198 C O gb_4
1199 C +N gb_9
1200 CA CB gb_26
1201 CB CG gb_26
1202 CG CD1 gb_26
1203 CG CD2 gb_26
1204 [ angles ]
1205 ; ai aj ak gromos type
1206 -C N H ga_31
1207 H N CA ga_17
1208 -C N CA ga_30
1209 N CA C ga_12
1210 CA C +N ga_18
1211 CA C O ga_29
1212 O C +N ga_32
1213 N CA CB ga_12
1214 C CA CB ga_12
1215 CA CB CG ga_14
1216 CB CG CD1 ga_14
1217 CB CG CD2 ga_14
1218 CD1 CG CD2 ga_14
1219 [ impropers ]
1220 ; ai aj ak al gromos type
1221 N -C CA H gi_1
1222 C CA +N O gi_1
1223 CA N C CB gi_2
1224 CG CD2 CD1 CB gi_2
1225 [ dihedrals ]
1226 ; ai aj ak al gromos type
1227 -CA -C N CA gd_4
1228 -C N CA C gd_19
1229 N CA C +N gd_20
1230 N CA CB CG gd_17
1231 CA CB CG CD1 gd_17
1232 [ LYS ]
1233 [ atoms ]
1234 N N -0.280 0
1235 H H 0.280 0
1236 CA CH1 0.000 1
1237 CB CH2 0.000 1
1238 CG CH2 0.000 2
1239 CD CH2 0.000 2
1240 CE CH2 0.000 3
1241 NZ NT -0.830 3
1242 HZ1 H 0.415 3
1243 HZ2 H 0.415 3
1244 C C 0.380 4
1245 O O -0.380 4
1246 [ bonds ]
1247 N H gb_2
1248 N CA gb_20
1249 CA C gb_26
1250 C O gb_4
1251 C +N gb_9
1252 CA CB gb_26
1253 CB CG gb_26
1254 CG CD gb_26
1255 CD CE gb_26
1256 CE NZ gb_20
1257 NZ HZ1 gb_2
1258 NZ HZ2 gb_2
1259 [ angles ]
1260 ; ai aj ak gromos type
1261 -C N H ga_31
1262 H N CA ga_17
1263 -C N CA ga_30
1264 N CA C ga_12
1265 CA C +N ga_18
1266 CA C O ga_29
1267 O C +N ga_32
1268 N CA CB ga_12
1269 C CA CB ga_12
1270 CA CB CG ga_14
1271 CB CG CD ga_14
1272 CG CD CE ga_14
1273 CD CE NZ ga_14
1274 CE NZ HZ1 ga_10
1275 CE NZ HZ2 ga_10
1276 HZ1 NZ HZ2 ga_9
1277 [ impropers ]
1278 ; ai aj ak al gromos type
1279 N -C CA H gi_1
1280 C CA +N O gi_1
1281 CA N C CB gi_2
1282 [ dihedrals ]
1283 ; ai aj ak al gromos type
1284 -CA -C N CA gd_4
1285 -C N CA C gd_19
1286 N CA C +N gd_20
1287 N CA CB CG gd_17
1288 CA CB CG CD gd_17
1289 CB CG CD CE gd_17
1290 CG CD CE NZ gd_17
1291 CD CE NZ HZ1 gd_14
1292 O O O O gd_
1293 [ LYSH ]
1294 [ atoms ]
1295 N N -0.280 0
1296 H H 0.280 0
1297 CA CH1 0.000 1
1298 CB CH2 0.000 1
1299 CG CH2 0.000 2
1300 CD CH2 0.000 2
1301 CE CH2 0.000 3
1302 NZ NL -0.744 3
1303 HZ1 H 0.248 3
1304 HZ2 H 0.248 3
1305 HZ3 H 0.248 3
1306 C C 0.380 4
1307 O O -0.380 4
1308 [ bonds ]
1309 N H gb_2
1310 N CA gb_20
1311 CA C gb_26
1312 C O gb_4
1313 C +N gb_9
1314 CA CB gb_26
1315 CB CG gb_26
1316 CG CD gb_26
1317 CD CE gb_26
1318 CE NZ gb_20
1319 NZ HZ1 gb_2
1320 NZ HZ2 gb_2
1321 NZ HZ3 gb_2
1322 [ angles ]
1323 ; ai aj ak gromos type
1324 -C N H ga_31
1325 H N CA ga_17
1326 -C N CA ga_30
1327 N CA C ga_12
1328 CA C +N ga_18
1329 CA C O ga_29
1330 O C +N ga_32
1331 N CA CB ga_12
1332 C CA CB ga_12
1333 CA CB CG ga_14
1334 CB CG CD ga_14
1335 CG CD CE ga_14
1336 CD CE NZ ga_14
1337 CE NZ HZ1 ga_10
1338 CE NZ HZ2 ga_10
1339 CE NZ HZ3 ga_10
1340 HZ1 NZ HZ2 ga_9
1341 HZ1 NZ HZ3 ga_9
1342 HZ2 NZ HZ3 ga_9
1343 [ impropers ]
1344 ; ai aj ak al gromos type
1345 N -C CA H gi_1
1346 C CA +N O gi_1
1347 CA N C CB gi_2
1348 [ dihedrals ]
1349 ; ai aj ak al gromos type
1350 -CA -C N CA gd_4
1351 -C N CA C gd_19
1352 N CA C +N gd_20
1353 N CA CB CG gd_17
1354 CA CB CG CD gd_17
1355 CB CG CD CE gd_17
1356 CG CD CE NZ gd_17
1357 CD CE NZ HZ1 gd_14
1358 [ MET ]
1359 [ atoms ]
1360 N N -0.280 0
1361 H H 0.280 0
1362 CA CH1 0.000 1
1363 CB CH2 0.000 1
1364 CG CH2 0.000 1
1365 SD S 0.000 2
1366 CE CH3 0.000 2
1367 C C 0.380 3
1368 O O -0.380 3
1369 [ bonds ]
1370 N H gb_2
1371 N CA gb_20
1372 CA C gb_26
1373 C O gb_4
1374 C +N gb_9
1375 CA CB gb_26
1376 CB CG gb_26
1377 CG SD gb_30
1378 SD CE gb_29
1379 [ angles ]
1380 ; ai aj ak gromos type
1381 -C N H ga_31
1382 H N CA ga_17
1383 -C N CA ga_30
1384 N CA C ga_12
1385 CA C +N ga_18
1386 CA C O ga_29
1387 O C +N ga_32
1388 N CA CB ga_12
1389 C CA CB ga_12
1390 CA CB CG ga_14
1391 CB CG SD ga_15
1392 CG SD CE ga_3
1393 [ impropers ]
1394 ; ai aj ak al gromos type
1395 N -C CA H gi_1
1396 C CA +N O gi_1
1397 CA N C CB gi_2
1398 [ dihedrals ]
1399 ; ai aj ak al gromos type
1400 -CA -C N CA gd_4
1401 -C N CA C gd_19
1402 N CA C +N gd_20
1403 N CA CB CG gd_17
1404 CA CB CG SD gd_17
1405 CB CG SD CE gd_13
1406 [ PHE ]
1407 [ atoms ]
1408 N N -0.280 0
1409 H H 0.280 0
1410 CA CH1 0.000 1
1411 CB CH2 0.000 1
1412 CG C 0.000 1
1413 CD1 C -0.100 2
1414 HD1 HC 0.100 2
1415 CD2 C -0.100 3
1416 HD2 HC 0.100 3
1417 CE1 C -0.100 4
1418 HE1 HC 0.100 4
1419 CE2 C -0.100 5
1420 HE2 HC 0.100 5
1421 CZ C -0.100 6
1422 HZ HC 0.100 6
1423 C C 0.380 7
1424 O O -0.380 7
1425 [ bonds ]
1426 N H gb_2
1427 N CA gb_20
1428 CA C gb_26
1429 C O gb_4
1430 C +N gb_9
1431 CA CB gb_26
1432 CB CG gb_26
1433 CG CD1 gb_15
1434 CG CD2 gb_15
1435 CD1 HD1 gb_3
1436 CD1 CE1 gb_15
1437 CD2 HD2 gb_3
1438 CD2 CE2 gb_15
1439 CE1 HE1 gb_3
1440 CE1 CZ gb_15
1441 CE2 HE2 gb_3
1442 CE2 CZ gb_15
1443 CZ HZ gb_3
1444 [ angles ]
1445 ; ai aj ak gromos type
1446 -C N H ga_31
1447 H N CA ga_17
1448 -C N CA ga_30
1449 N CA C ga_12
1450 CA C +N ga_18
1451 CA C O ga_29
1452 O C +N ga_32
1453 N CA CB ga_12
1454 C CA CB ga_12
1455 CA CB CG ga_14
1456 CB CG CD1 ga_26
1457 CB CG CD2 ga_26
1458 CD1 CG CD2 ga_26
1459 CG CD1 HD1 ga_24
1460 HD1 CD1 CE1 ga_24
1461 CG CD1 CE1 ga_26
1462 CG CD2 HD2 ga_24
1463 HD2 CD2 CE2 ga_24
1464 CG CD2 CE2 ga_26
1465 CD1 CE1 HE1 ga_24
1466 HE1 CE1 CZ ga_24
1467 CD1 CE1 CZ ga_26
1468 CD2 CE2 HE2 ga_24
1469 HE2 CE2 CZ ga_24
1470 CD2 CE2 CZ ga_26
1471 CE1 CZ HZ ga_24
1472 CE2 CZ HZ ga_24
1473 CE1 CZ CE2 ga_26
1474 [ impropers ]
1475 ; ai aj ak al gromos type
1476 N -C CA H gi_1
1477 C CA +N O gi_1
1478 CA N C CB gi_2
1479 CG CD1 CD2 CB gi_1
1480 CD2 CG CD1 CE1 gi_1
1481 CD1 CG CD2 CE2 gi_1
1482 CG CD1 CE1 CZ gi_1
1483 CG CD2 CE2 CZ gi_1
1484 CD1 CE1 CZ CE2 gi_1
1485 CD2 CE2 CZ CE1 gi_1
1486 CD1 CG CE1 HD1 gi_1
1487 CD2 CG CE2 HD2 gi_1
1488 CE1 CZ CD1 HE1 gi_1
1489 CE2 CZ CD2 HE2 gi_1
1490 CZ CE1 CE2 HZ gi_1
1491 [ dihedrals ]
1492 ; ai aj ak al gromos type
1493 -CA -C N CA gd_4
1494 -C N CA C gd_19
1495 N CA C +N gd_20
1496 N CA CB CG gd_17
1497 CA CB CG CD1 gd_20
1498 [ PRO ]
1499 [ atoms ]
1500 N N 0.000 0
1501 CA CH1 0.000 1
1502 CB CH2 0.000 1
1503 CG CH2 0.000 2
1504 CD CH2 0.000 2
1505 C C 0.380 3
1506 O O -0.380 3
1507 [ bonds ]
1508 N CA gb_20
1509 CA C gb_26
1510 C O gb_4
1511 C +N gb_9
1512 CA CB gb_26
1513 CB CG gb_26
1514 CG CD gb_26
1515 CD N gb_20
1516 [ angles ]
1517 ; ai aj ak gromos type
1518 -C N CA ga_30
1519 N CA C ga_12
1520 CA C +N ga_18
1521 CA C O ga_29
1522 O C +N ga_32
1523 N CA CB ga_12
1524 C CA CB ga_12
1525 CA CB CG ga_12
1526 CB CG CD ga_12
1527 CG CD N ga_12
1528 CD N CA ga_20
1529 -C N CD ga_30
1530 [ impropers ]
1531 ; ai aj ak al gromos type
1532 N -C CA CD gi_1
1533 C CA +N O gi_1
1534 CA N C CB gi_2
1535 [ dihedrals ]
1536 ; ai aj ak al gromos type
1537 -CA -C N CA gd_4
1538 -C N CA C gd_19
1539 N CA C +N gd_20
1540 N CA CB CG gd_17
1541 CA CB CG CD gd_17
1542 CB CG CD N gd_17
1543 CG CD N CA gd_19
1544 [ SER ]
1545 [ atoms ]
1546 N N -0.280 0
1547 H H 0.280 0
1548 CA CH1 0.000 1
1549 CB CH2 0.150 2
1550 OG OA -0.548 2
1551 HG H 0.398 2
1552 C C 0.380 3
1553 O O -0.380 3
1554 [ bonds ]
1555 N H gb_2
1556 N CA gb_20
1557 CA C gb_26
1558 C O gb_4
1559 C +N gb_9
1560 CA CB gb_26
1561 CB OG gb_17
1562 OG HG gb_1
1563 [ angles ]
1564 ; ai aj ak gromos type
1565 -C N H ga_31
1566 H N CA ga_17
1567 -C N CA ga_30
1568 N CA C ga_12
1569 CA C +N ga_18
1570 CA C O ga_29
1571 O C +N ga_32
1572 N CA CB ga_12
1573 C CA CB ga_12
1574 CA CB OG ga_12
1575 CB OG HG ga_11
1576 [ impropers ]
1577 ; ai aj ak al gromos type
1578 N -C CA H gi_1
1579 C CA +N O gi_1
1580 CA N C CB gi_2
1581 [ dihedrals ]
1582 ; ai aj ak al gromos type
1583 -CA -C N CA gd_4
1584 -C N CA C gd_19
1585 N CA C +N gd_20
1586 N CA CB OG gd_17
1587 CA CB OG HG gd_12
1588 [ THR ]
1589 [ atoms ]
1590 N N -0.280 0
1591 H H 0.280 0
1592 CA CH1 0.000 1
1593 CB CH1 0.150 2
1594 OG1 OA -0.548 2
1595 HG1 H 0.398 2
1596 CG2 CH3 0.000 3
1597 C C 0.380 4
1598 O O -0.380 4
1599 [ bonds ]
1600 N H gb_2
1601 N CA gb_20
1602 CA C gb_26
1603 C O gb_4
1604 C +N gb_9
1605 CA CB gb_26
1606 CB OG1 gb_17
1607 CB CG2 gb_26
1608 OG1 HG1 gb_1
1609 [ angles ]
1610 ; ai aj ak gromos type
1611 -C N H ga_31
1612 H N CA ga_17
1613 -C N CA ga_30
1614 N CA C ga_12
1615 CA C +N ga_18
1616 CA C O ga_29
1617 O C +N ga_32
1618 N CA CB ga_12
1619 C CA CB ga_12
1620 CA CB OG1 ga_12
1621 CA CB CG2 ga_14
1622 OG1 CB CG2 ga_14
1623 CB OG1 HG1 ga_11
1624 [ impropers ]
1625 ; ai aj ak al gromos type
1626 N -C CA H gi_1
1627 C CA +N O gi_1
1628 CA N C CB gi_2
1629 CB OG1 CG2 CA gi_2
1630 [ dihedrals ]
1631 ; ai aj ak al gromos type
1632 -CA -C N CA gd_4
1633 -C N CA C gd_19
1634 N CA C +N gd_20
1635 N CA CB OG1 gd_17
1636 CA CB OG1 HG1 gd_12
1637 [ TRP ]
1638 [ atoms ]
1639 N N -0.280 0
1640 H H 0.280 0
1641 CA CH1 0.000 1
1642 CB CH2 0.000 1
1643 CG C -0.140 2
1644 CD1 C -0.100 2
1645 HD1 HC 0.100 2
1646 CD2 C 0.000 2
1647 NE1 NR -0.050 2
1648 HE1 H 0.190 2
1649 CE2 C 0.000 2
1650 CE3 C -0.100 3
1651 HE3 HC 0.100 3
1652 CZ2 C -0.100 4
1653 HZ2 HC 0.100 4
1654 CZ3 C -0.100 5
1655 HZ3 HC 0.100 5
1656 CH2 C -0.100 6
1657 HH2 HC 0.100 6
1658 C C 0.380 7
1659 O O -0.380 7
1660 [ bonds ]
1661 N H gb_2
1662 N CA gb_20
1663 CA C gb_26
1664 C O gb_4
1665 C +N gb_9
1666 CA CB gb_26
1667 CB CG gb_26
1668 CG CD1 gb_9
1669 CG CD2 gb_15
1670 CD1 HD1 gb_3
1671 CD1 NE1 gb_9
1672 CD2 CE2 gb_15
1673 CD2 CE3 gb_15
1674 NE1 HE1 gb_2
1675 NE1 CE2 gb_9
1676 CE2 CZ2 gb_15
1677 CE3 HE3 gb_3
1678 CE3 CZ3 gb_15
1679 CZ2 HZ2 gb_3
1680 CZ2 CH2 gb_15
1681 CZ3 HZ3 gb_3
1682 CZ3 CH2 gb_15
1683 CH2 HH2 gb_3
1684 [ angles ]
1685 ; ai aj ak gromos type
1686 -C N H ga_31
1687 H N CA ga_17
1688 -C N CA ga_30
1689 N CA C ga_12
1690 CA C +N ga_18
1691 CA C O ga_29
1692 O C +N ga_32
1693 N CA CB ga_12
1694 C CA CB ga_12
1695 CA CB CG ga_14
1696 CB CG CD1 ga_36
1697 CB CG CD2 ga_36
1698 CD1 CG CD2 ga_6
1699 CG CD1 HD1 ga_35
1700 HD1 CD1 NE1 ga_35
1701 CG CD1 NE1 ga_6
1702 CG CD2 CE2 ga_6
1703 CD1 NE1 CE2 ga_6
1704 CD1 NE1 HE1 ga_35
1705 HE1 NE1 CE2 ga_35
1706 NE1 CE2 CD2 ga_6
1707 CG CD2 CE3 ga_38
1708 NE1 CE2 CZ2 ga_38
1709 CD2 CE2 CZ2 ga_26
1710 CE2 CD2 CE3 ga_26
1711 CD2 CE3 HE3 ga_24
1712 HE3 CE3 CZ3 ga_24
1713 CD2 CE3 CZ3 ga_26
1714 CE2 CZ2 HZ2 ga_24
1715 HZ2 CZ2 CH2 ga_24
1716 CE2 CZ2 CH2 ga_26
1717 CE3 CZ3 HZ3 ga_24
1718 HZ3 CZ3 CH2 ga_24
1719 CE3 CZ3 CH2 ga_26
1720 CZ2 CH2 HH2 ga_24
1721 HH2 CH2 CZ3 ga_24
1722 CZ2 CH2 CZ3 ga_26
1723 [ impropers ]
1724 ; ai aj ak al gromos type
1725 N -C CA H gi_1
1726 C CA +N O gi_1
1727 CA N C CB gi_2
1728 CG CD1 CD2 CB gi_1
1729 CD2 CG CD1 NE1 gi_1
1730 CD1 CG CD2 CE2 gi_1
1731 CG CD1 NE1 CE2 gi_1
1732 CG CD2 CE2 NE1 gi_1
1733 CD1 NE1 CE2 CD2 gi_1
1734 CD1 CG NE1 HD1 gi_1
1735 NE1 CD1 CE2 HE1 gi_1
1736 CD2 CE2 CE3 CG gi_1
1737 CE2 CD2 CZ2 NE1 gi_1
1738 CE3 CD2 CE2 CZ2 gi_1
1739 CD2 CE2 CZ2 CH2 gi_1
1740 CE2 CD2 CE3 CZ3 gi_1
1741 CE2 CZ2 CH2 CZ3 gi_1
1742 CD2 CE3 CZ3 CH2 gi_1
1743 CE3 CZ3 CH2 CZ2 gi_1
1744 CE3 CD2 CZ3 HE3 gi_1
1745 CZ2 CE2 CH2 HZ2 gi_1
1746 CZ3 CE3 CH2 HZ3 gi_1
1747 CH2 CZ2 CZ3 HH2 gi_1
1748 [ dihedrals ]
1749 ; ai aj ak al gromos type
1750 -CA -C N CA gd_4
1751 -C N CA C gd_19
1752 N CA C +N gd_20
1753 N CA CB CG gd_17
1754 CA CB CG CD2 gd_20
1755 [ TYR ]
1756 [ atoms ]
1757 N N -0.280 0
1758 H H 0.280 0
1759 CA CH1 0.000 1
1760 CB CH2 0.000 1
1761 CG C 0.000 1
1762 CD1 C -0.100 2
1763 HD1 HC 0.100 2
1764 CD2 C -0.100 3
1765 HD2 HC 0.100 3
1766 CE1 C -0.100 4
1767 HE1 HC 0.100 4
1768 CE2 C -0.100 5
1769 HE2 HC 0.100 5
1770 CZ C 0.150 6
1771 OH OA -0.548 6
1772 HH H 0.398 6
1773 C C 0.380 7
1774 O O -0.380 7
1775 [ bonds ]
1776 N H gb_2
1777 N CA gb_20
1778 CA C gb_26
1779 C O gb_4
1780 C +N gb_9
1781 CA CB gb_26
1782 CB CG gb_26
1783 CG CD1 gb_15
1784 CG CD2 gb_15
1785 CD1 HD1 gb_3
1786 CD1 CE1 gb_15
1787 CD2 HD2 gb_3
1788 CD2 CE2 gb_15
1789 CE1 HE1 gb_3
1790 CE1 CZ gb_15
1791 CE2 HE2 gb_3
1792 CE2 CZ gb_15
1793 CZ OH gb_12
1794 OH HH gb_1
1795 [ angles ]
1796 ; ai aj ak gromos type
1797 -C N H ga_31
1798 H N CA ga_17
1799 -C N CA ga_30
1800 N CA C ga_12
1801 CA C +N ga_18
1802 CA C O ga_29
1803 O C +N ga_32
1804 N CA CB ga_12
1805 C CA CB ga_12
1806 CA CB CG ga_14
1807 CB CG CD1 ga_26
1808 CB CG CD2 ga_26
1809 CD1 CG CD2 ga_26
1810 CG CD1 HD1 ga_24
1811 HD1 CD1 CE1 ga_24
1812 CG CD1 CE1 ga_26
1813 CG CD2 HD2 ga_24
1814 HD2 CD2 CE2 ga_24
1815 CG CD2 CE2 ga_26
1816 CD1 CE1 HE1 ga_24
1817 HE1 CE1 CZ ga_24
1818 CD1 CE1 CZ ga_26
1819 CD2 CE2 HE2 ga_24
1820 HE2 CE2 CZ ga_24
1821 CD2 CE2 CZ ga_26
1822 CE1 CZ CE2 ga_26
1823 CE1 CZ OH ga_26
1824 CE2 CZ OH ga_26
1825 CZ OH HH ga_11
1826 [ impropers ]
1827 ; ai aj ak al gromos type
1828 N -C CA H gi_1
1829 C CA +N O gi_1
1830 CA N C CB gi_2
1831 CG CD1 CD2 CB gi_1
1832 CD2 CG CD1 CE1 gi_1
1833 CD1 CG CD2 CE2 gi_1
1834 CG CD1 CE1 CZ gi_1
1835 CG CD2 CE2 CZ gi_1
1836 CD1 CE1 CZ CE2 gi_1
1837 CD2 CE2 CZ CE1 gi_1
1838 CD1 CG CE1 HD1 gi_1
1839 CD2 CG CE2 HD2 gi_1
1840 CE1 CZ CD1 HE1 gi_1
1841 CE2 CZ CD2 HE2 gi_1
1842 CZ CE1 CE2 OH gi_1
1843 [ dihedrals ]
1844 ; ai aj ak al gromos type
1845 -CA -C N CA gd_4
1846 -C N CA C gd_19
1847 N CA C +N gd_20
1848 N CA CB CG gd_17
1849 CA CB CG CD1 gd_20
1850 CE1 CZ OH HH gd_2
1851 [ VAL ]
1852 [ atoms ]
1853 N N -0.280 0
1854 H H 0.280 0
1855 CA CH1 0.000 1
1856 CB CH1 0.000 1
1857 CG1 CH3 0.000 1
1858 CG2 CH3 0.000 1
1859 C C 0.380 2
1860 O O -0.380 2
1861 [ bonds ]
1862 N H gb_2
1863 N CA gb_20
1864 CA C gb_26
1865 C O gb_4
1866 C +N gb_9
1867 CA CB gb_26
1868 CB CG1 gb_26
1869 CB CG2 gb_26
1870 [ angles ]
1871 ; ai aj ak gromos type
1872 -C N H ga_31
1873 H N CA ga_17
1874 -C N CA ga_30
1875 N CA C ga_12
1876 CA C +N ga_18
1877 CA C O ga_29
1878 O C +N ga_32
1879 N CA CB ga_12
1880 C CA CB ga_12
1881 CA CB CG1 ga_14
1882 CA CB CG2 ga_14
1883 CG1 CB CG2 ga_14
1884 [ impropers ]
1885 ; ai aj ak al gromos type
1886 N -C CA H gi_1
1887 C CA +N O gi_1
1888 CA N C CB gi_2
1889 CB CG2 CG1 CA gi_2
1890 [ dihedrals ]
1891 ; ai aj ak al gromos type
1892 -CA -C N CA gd_4
1893 -C N CA C gd_19
1894 N CA C +N gd_20
1895 N CA CB CG1 gd_17
1896 [ DALA ]
1897 [ atoms ]
1898 N N -0.280 0
1899 H H 0.280 0
1900 CA CH1 0.000 1
1901 CB CH3 0.000 1
1902 C C 0.380 2
1903 O O -0.380 2
1904 [ bonds ]
1905 N H gb_2
1906 N CA gb_20
1907 CA C gb_26
1908 C O gb_4
1909 C +N gb_9
1910 CA CB gb_26
1911 [ angles ]
1912 ; ai aj ak gromos type
1913 -C N H ga_31
1914 H N CA ga_17
1915 -C N CA ga_30
1916 N CA C ga_12
1917 CA C +N ga_18
1918 CA C O ga_29
1919 O C +N ga_32
1920 N CA CB ga_12
1921 C CA CB ga_12
1922 [ impropers ]
1923 ; ai aj ak al gromos type
1924 N -C CA H gi_1
1925 C CA +N O gi_1
1926 CA C N CB gi_2
1927 [ dihedrals ]
1928 ; ai aj ak al gromos type
1929 -CA -C N CA gd_4
1930 -C N CA C gd_19
1931 N CA C +N gd_20
1932 [ ABU ]
1933 [ atoms ]
1934 N N -0.280 0
1935 H H 0.280 0
1936 CA CH1 0.000 1
1937 CB CH2 0.000 1
1938 CG CH3 0.000 1
1939 C C 0.380 2
1940 O O -0.380 2
1941 [ bonds ]
1942 N H gb_2
1943 N CA gb_20
1944 CA C gb_26
1945 C O gb_4
1946 C +N gb_9
1947 CA CB gb_26
1948 CB CG gb_26
1949 [ angles ]
1950 ; ai aj ak gromos type
1951 -C N H ga_31
1952 H N CA ga_17
1953 -C N CA ga_30
1954 N CA C ga_12
1955 CA C +N ga_18
1956 CA C O ga_29
1957 O C +N ga_32
1958 N CA CB ga_12
1959 C CA CB ga_12
1960 CA CB CG ga_14
1961 [ impropers ]
1962 ; ai aj ak al gromos type
1963 N -C CA H gi_1
1964 C CA +N O gi_1
1965 CA N C CB gi_2
1966 [ dihedrals ]
1967 ; ai aj ak al gromos type
1968 -CA -C N CA gd_4
1969 -C N CA C gd_19
1970 N CA C +N gd_20
1971 N CA CB CG gd_17
1972 [ MEBMT ]
1973 [ atoms ]
1974 N N 0.000 0
1975 CN CH3 0.000 0
1976 CA CH1 0.000 1
1977 CB CH1 0.150 2
1978 OG1 OA -0.548 2
1979 HG1 H 0.398 2
1980 CG2 CH1 0.000 3
1981 CD1 CH3 0.000 3
1982 CD2 CH2 0.000 3
1983 CE CR1 0.000 4
1984 CZ CR1 0.000 4
1985 CH CH3 0.000 4
1986 C C 0.380 5
1987 O O -0.380 5
1988 [ bonds ]
1989 N CN gb_20
1990 N CA gb_20
1991 CA C gb_26
1992 C O gb_4
1993 C +N gb_9
1994 CA CB gb_26
1995 CB OG1 gb_17
1996 OG1 HG1 gb_1
1997 CB CG2 gb_26
1998 CG2 CD1 gb_26
1999 CG2 CD2 gb_26
2000 CD2 CE gb_26
2001 CE CZ gb_9
2002 CZ CH gb_26
2003 [ angles ]
2004 ; ai aj ak gromos type
2005 -C N CN ga_21
2006 CN N CA ga_29
2007 -C N CA ga_30
2008 N CA C ga_12
2009 CA C +N ga_18
2010 CA C O ga_29
2011 O C +N ga_32
2012 N CA CB ga_12
2013 C CA CB ga_12
2014 CA CB OG1 ga_12
2015 CA CB CG2 ga_14
2016 OG1 CB CG2 ga_14
2017 CB OG1 HG1 ga_11
2018 CB CG2 CD1 ga_14
2019 CB CG2 CD2 ga_14
2020 CD2 CG2 CD1 ga_14
2021 CG2 CD2 CE ga_14
2022 CD2 CE CZ ga_26
2023 CE CZ CH ga_26
2024 [ impropers ]
2025 ; ai aj ak al gromos type
2026 N -C CA CN gi_1
2027 C CA +N O gi_1
2028 CA N C CB gi_2
2029 CB OG1 CG2 CA gi_2
2030 CG2 CD1 CD2 CB gi_2
2031 [ dihedrals ]
2032 ; ai aj ak al gromos type
2033 -CA -C N CA gd_4
2034 -C N CA C gd_19
2035 N CA C +N gd_20
2036 N CA CB CG2 gd_17
2037 CA CB OG1 HG1 gd_12
2038 CA CB CG2 CD2 gd_17
2039 CB CG2 CD2 CE gd_17
2040 CG2 CD2 CE CZ gd_20
2041 CD2 CE CZ CH gd_4
2042 [ MELEU ]
2043 [ atoms ]
2044 N N 0.000 0
2045 CN CH3 0.000 0
2046 CA CH1 0.000 1
2047 CB CH2 0.000 1
2048 CG CH1 0.000 2
2049 CD1 CH3 0.000 2
2050 CD2 CH3 0.000 2
2051 C C 0.380 3
2052 O O -0.380 3
2053 [ bonds ]
2054 N CN gb_20
2055 N CA gb_20
2056 CA C gb_26
2057 C O gb_4
2058 C +N gb_9
2059 CA CB gb_26
2060 CB CG gb_26
2061 CG CD1 gb_26
2062 CG CD2 gb_26
2063 [ angles ]
2064 ; ai aj ak gromos type
2065 -C N CN ga_21
2066 CN N CA ga_29
2067 -C N CA ga_30
2068 N CA C ga_12
2069 CA C +N ga_18
2070 CA C O ga_29
2071 O C +N ga_32
2072 N CA CB ga_12
2073 C CA CB ga_12
2074 CA CB CG ga_14
2075 CB CG CD1 ga_14
2076 CB CG CD2 ga_14
2077 CD1 CG CD2 ga_14
2078 [ impropers ]
2079 ; ai aj ak al gromos type
2080 N -C CA CN gi_1
2081 C CA +N O gi_1
2082 CA N C CB gi_2
2083 CG CD2 CD1 CB gi_2
2084 [ dihedrals ]
2085 ; ai aj ak al gromos type
2086 -CA -C N CA gd_4
2087 -C N CA C gd_19
2088 N CA C +N gd_20
2089 N CA CB CG gd_17
2090 CA CB CG CD1 gd_17
2091 [ MEVAL ]
2092 [ atoms ]
2093 N N 0.000 0
2094 CN CH3 0.000 0
2095 CA CH1 0.000 1
2096 CB CH1 0.000 1
2097 CG1 CH3 0.000 1
2098 CG2 CH3 0.000 1
2099 C C 0.380 2
2100 O O -0.380 2
2101 [ bonds ]
2102 N CN gb_20
2103 N CA gb_20
2104 CA C gb_26
2105 C O gb_4
2106 C +N gb_9
2107 CA CB gb_26
2108 CB CG1 gb_26
2109 CB CG2 gb_26
2110 [ angles ]
2111 ; ai aj ak gromos type
2112 -C N CN ga_21
2113 CN N CA ga_29
2114 -C N CA ga_30
2115 N CA C ga_12
2116 CA C +N ga_18
2117 CA C O ga_29
2118 O C +N ga_32
2119 N CA CB ga_12
2120 C CA CB ga_12
2121 CA CB CG1 ga_14
2122 CA CB CG2 ga_14
2123 CG1 CB CG2 ga_14
2124 [ impropers ]
2125 ; ai aj ak al gromos type
2126 N -C CA CN gi_1
2127 C CA +N O gi_1
2128 CA N C CB gi_2
2129 CB CG2 CG1 CA gi_2
2130 [ dihedrals ]
2131 ; ai aj ak al gromos type
2132 -CA -C N CA gd_4
2133 -C N CA C gd_19
2134 N CA C +N gd_20
2135 N CA CB CG1 gd_17
2136 [ SAR ]
2137 [ atoms ]
2138 N N 0.000 0
2139 CN CH3 0.000 0
2140 CA CH2 0.000 1
2141 C C 0.380 2
2142 O O -0.380 2
2143 [ bonds ]
2144 N CN gb_20
2145 N CA gb_20
2146 CA C gb_26
2147 C O gb_4
2148 C +N gb_9
2149 [ angles ]
2150 ; ai aj ak gromos type
2151 -C N CN ga_21
2152 CN N CA ga_29
2153 -C N CA ga_30
2154 N CA C ga_12
2155 CA C +N ga_18
2156 CA C O ga_29
2157 O C +N ga_32
2158 [ impropers ]
2159 ; ai aj ak al gromos type
2160 N -C CA CN gi_1
2161 C CA +N O gi_1
2162 [ dihedrals ]
2163 ; ai aj ak al gromos type
2164 -CA -C N CA gd_4
2165 -C N CA C gd_19
2166 N CA C +N gd_20
2167 [ DADE ]
2168 [ atoms ]
2169 P P 1.440 0
2170 O1P OM -0.360 0
2171 O2P OM -0.360 0
2172 O5* OA -0.360 0
2173 C5* CH2 0.000 1
2174 C4* CH1 0.160 2
2175 O4* OA -0.360 2
2176 C1* CH1 0.200 2
2177 N9 NR -0.200 3
2178 C4 C 0.200 3
2179 N3 NR -0.360 4
2180 C2 CR1 0.360 4
2181 N1 NR -0.360 5
2182 C6 C 0.360 5
2183 N6 NT -0.830 6
2184 H61 H 0.415 6
2185 H62 H 0.415 6
2186 C5 C 0.000 7
2187 N7 NR -0.360 7
2188 C8 CR1 0.360 7
2189 C2* CH2 0.000 8
2190 C3* CH1 0.000 8
2191 O3* OA -0.360 9
2192 [ bonds ]
2193 P O1P gb_23
2194 P O2P gb_23
2195 P O5* gb_27
2196 O5* C5* gb_19
2197 C5* C4* gb_25
2198 C4* O4* gb_19
2199 C4* C3* gb_25
2200 O4* C1* gb_19
2201 C1* N9 gb_21
2202 C1* C2* gb_25
2203 N9 C4 gb_9
2204 N9 C8 gb_9
2205 C4 N3 gb_11
2206 C4 C5 gb_15
2207 N3 C2 gb_6
2208 C2 N1 gb_6
2209 N1 C6 gb_11
2210 C6 N6 gb_8
2211 C6 C5 gb_15
2212 N6 H61 gb_2
2213 N6 H62 gb_2
2214 C5 N7 gb_9
2215 N7 C8 gb_9
2216 C2* C3* gb_25
2217 C3* O3* gb_19
2218 O3* +N gb_27
2219 [ angles ]
2220 ; ai aj ak gromos type
2221 O3* P O1P ga_13
2222 O3* P O2P ga_13
2223 O3* P O5* ga_4
2224 O1P P O2P ga_28
2225 O1P P O5* ga_13
2226 O2P P O5* ga_13
2227 P O5* C5* ga_25
2228 O5* C5* C4* ga_8
2229 C5* C4* O4* ga_8
2230 C5* C4* C3* ga_7
2231 O4* C4* C3* ga_8
2232 C4* O4* C1* ga_9
2233 O4* C1* N9 ga_8
2234 O4* C1* C2* ga_8
2235 N9 C1* C2* ga_8
2236 C1* N9 C4 ga_36
2237 C1* N9 C8 ga_36
2238 C4 N9 C8 ga_6
2239 N9 C4 N3 ga_38
2240 N9 C4 C5 ga_6
2241 N3 C4 C5 ga_26
2242 C4 N3 C2 ga_26
2243 N3 C2 N1 ga_26
2244 C2 N1 C6 ga_26
2245 N1 C6 N6 ga_26
2246 N1 C6 C5 ga_26
2247 N6 C6 C5 ga_26
2248 C6 N6 H61 ga_22
2249 C6 N6 H62 ga_22
2250 H61 N6 H62 ga_23
2251 C4 C5 C6 ga_26
2252 C4 C5 N7 ga_6
2253 C6 C5 N7 ga_38
2254 C5 N7 C8 ga_6
2255 N9 C8 N7 ga_6
2256 C1* C2* C3* ga_7
2257 C4* C3* C2* ga_7
2258 C4* C3* O3* ga_8
2259 C2* C3* O3* ga_8
2260 C3* O3* +N ga_25
2261 [ impropers ]
2262 ; ai aj ak al gromos type
2263 C4* O4* C5* C3* gi_2
2264 C3* C2* O3* C4* gi_2
2265 C1* N9 O4* C2* gi_2
2266 N9 C8 C4 C1* gi_1
2267 C4 N9 C8 N7 gi_1
2268 C8 N9 C4 C5 gi_1
2269 N9 C8 N7 C5 gi_1
2270 N9 C4 C5 N7 gi_1
2271 C8 N7 C5 C4 gi_1
2272 C4 N9 N3 C5 gi_1
2273 C5 C6 N7 C4 gi_1
2274 N3 C4 C5 C6 gi_1
2275 C4 C5 C6 N1 gi_1
2276 C5 C4 N3 C2 gi_1
2277 C5 C6 N1 C2 gi_1
2278 C4 N3 C2 N1 gi_1
2279 N3 C2 N1 C6 gi_1
2280 C6 C5 N1 N6 gi_1
2281 N6 H61 H62 C6 gi_1
2282 [ dihedrals ]
2283 ; ai aj ak al gromos type
2284 -C O3* P O5* gd_11
2285 -C O3* P O5* gd_9
2286 O3* P O5* C5* gd_11
2287 O3* P O5* C5* gd_9
2288 P O5* C5* C4* gd_14
2289 O5* C5* C4* C3* gd_17
2290 O5* C5* C4* C3* gd_7
2291 O5* C5* C4* O4* gd_8
2292 C5* C4* C3* C2* gd_17
2293 C5* C4* C3* O3* gd_7
2294 O4* C4* C3* C2* gd_7
2295 O4* C4* C3* O3* gd_8
2296 C4* C3* C2* C1* gd_17
2297 O3* C3* C2* C1* gd_7
2298 C3* C2* C1* O4* gd_17
2299 C3* C2* C1* O4* gd_7
2300 C3* C4* O4* C1* gd_14
2301 C4* O4* C1* C2* gd_14
2302 O4* C1* N9 C4 gd_6
2303 C5 C6 N6 H61 gd_4
2304 C4* C3* O3* +N gd_14
2305 [ DGUA ]
2306 [ atoms ]
2307 P P 1.440 0
2308 O1P OM -0.360 0
2309 O2P OM -0.360 0
2310 O5* OA -0.360 0
2311 C5* CH2 0.000 1
2312 C4* CH1 0.160 2
2313 O4* OA -0.360 2
2314 C1* CH1 0.200 2
2315 N9 NR -0.200 3
2316 C4 C 0.200 3
2317 N3 NR -0.360 4
2318 C2 C 0.360 4
2319 N2 NT -0.830 5
2320 H21 H 0.415 5
2321 H22 H 0.415 5
2322 N1 NR -0.280 6
2323 H1 H 0.280 6
2324 C6 C 0.380 7
2325 O6 O -0.380 7
2326 C5 C 0.000 8
2327 N7 NR -0.360 8
2328 C8 CR1 0.360 8
2329 C2* CH2 0.000 9
2330 C3* CH1 0.000 9
2331 O3* OA -0.360 10
2332 [ bonds ]
2333 P O1P gb_23
2334 P O2P gb_23
2335 P O5* gb_27
2336 O5* C5* gb_19
2337 C5* C4* gb_25
2338 C4* O4* gb_19
2339 C4* C3* gb_25
2340 O4* C1* gb_19
2341 C1* N9 gb_21
2342 C1* C2* gb_25
2343 N9 C4 gb_9
2344 N9 C8 gb_9
2345 C4 N3 gb_11
2346 C4 C5 gb_15
2347 N3 C2 gb_11
2348 C2 N2 gb_8
2349 C2 N1 gb_16
2350 N2 H21 gb_2
2351 N2 H22 gb_2
2352 N1 H1 gb_2
2353 N1 C6 gb_16
2354 C6 O6 gb_4
2355 C6 C5 gb_15
2356 C5 N7 gb_9
2357 N7 C8 gb_9
2358 C2* C3* gb_25
2359 C3* O3* gb_19
2360 O3* +N gb_27
2361 [ angles ]
2362 ; ai aj ak gromos type
2363 O3* P O1P ga_13
2364 O3* P O2P ga_13
2365 O3* P O5* ga_4
2366 O1P P O2P ga_28
2367 O1P P O5* ga_13
2368 O2P P O5* ga_13
2369 P O5* C5* ga_25
2370 O5* C5* C4* ga_8
2371 C5* C4* O4* ga_8
2372 C5* C4* C3* ga_7
2373 O4* C4* C3* ga_8
2374 C4* O4* C1* ga_9
2375 O4* C1* N9 ga_8
2376 O4* C1* C2* ga_8
2377 N9 C1* C2* ga_8
2378 C1* N9 C4 ga_36
2379 C1* N9 C8 ga_36
2380 C4 N9 C8 ga_6
2381 N9 C4 N3 ga_38
2382 N9 C4 C5 ga_6
2383 N3 C4 C5 ga_26
2384 C4 N3 C2 ga_26
2385 N3 C2 N2 ga_26
2386 N3 C2 N1 ga_26
2387 N2 C2 N1 ga_26
2388 C2 N2 H21 ga_22
2389 C2 N2 H22 ga_22
2390 H21 N2 H22 ga_23
2391 C2 N1 H1 ga_24
2392 C2 N1 C6 ga_26
2393 H1 N1 C6 ga_24
2394 N1 C6 O6 ga_26
2395 N1 C6 C5 ga_26
2396 O6 C6 C5 ga_26
2397 C4 C5 C6 ga_26
2398 C4 C5 N7 ga_6
2399 C6 C5 N7 ga_38
2400 C5 N7 C8 ga_6
2401 N9 C8 N7 ga_6
2402 C1* C2* C3* ga_7
2403 C4* C3* C2* ga_7
2404 C4* C3* O3* ga_8
2405 C2* C3* O3* ga_8
2406 C3* O3* +N ga_25
2407 [ impropers ]
2408 ; ai aj ak al gromos type
2409 C4* O4* C5* C3* gi_2
2410 C3* C2* O3* C4* gi_2
2411 C1* N9 O4* C2* gi_2
2412 N9 C8 C4 C1* gi_1
2413 C4 N9 C8 N7 gi_1
2414 C8 N9 C4 C5 gi_1
2415 N9 C8 N7 C5 gi_1
2416 N9 C4 C5 N7 gi_1
2417 C8 N7 C5 C4 gi_1
2418 C4 N9 N3 C5 gi_1
2419 C5 C6 N7 C4 gi_1
2420 N3 C4 C5 C6 gi_1
2421 C4 C5 C6 N1 gi_1
2422 C5 C4 N3 C2 gi_1
2423 C5 C6 N1 C2 gi_1
2424 C4 N3 C2 N1 gi_1
2425 N3 C2 N1 C6 gi_1
2426 C2 N1 N3 N2 gi_1
2427 N2 H21 H22 C2 gi_1
2428 N1 C6 C2 H1 gi_1
2429 C6 C5 N1 O6 gi_1
2430 [ dihedrals ]
2431 ; ai aj ak al gromos type
2432 -C O3* P O5* gd_11
2433 -C O3* P O5* gd_9
2434 O3* P O5* C5* gd_11
2435 O3* P O5* C5* gd_9
2436 P O5* C5* C4* gd_14
2437 O5* C5* C4* C3* gd_17
2438 O5* C5* C4* C3* gd_7
2439 O5* C5* C4* O4* gd_8
2440 C5* C4* C3* C2* gd_17
2441 C5* C4* C3* O3* gd_7
2442 O4* C4* C3* C2* gd_7
2443 O4* C4* C3* O3* gd_8
2444 C4* C3* C2* C1* gd_17
2445 O3* C3* C2* C1* gd_7
2446 C3* C2* C1* O4* gd_17
2447 C3* C2* C1* O4* gd_7
2448 C3* C4* O4* C1* gd_14
2449 C4* O4* C1* C2* gd_14
2450 O4* C1* N9 C4 gd_6
2451 N3 C2 N2 H21 gd_4
2452 C4* C3* O3* +N gd_14
2453 [ DCYT ]
2454 [ atoms ]
2455 P P 1.440 0
2456 O1P OM -0.360 0
2457 O2P OM -0.360 0
2458 O5* OA -0.360 0
2459 C5* CH2 0.000 1
2460 C4* CH1 0.160 2
2461 O4* OA -0.360 2
2462 C1* CH1 0.200 2
2463 N1 NR -0.200 3
2464 C6 CR1 0.200 3
2465 C2 C 0.380 4
2466 O2 O -0.380 4
2467 N3 NR -0.360 5
2468 C4 C 0.360 5
2469 N4 NT -0.830 6
2470 H41 H 0.415 6
2471 H42 H 0.415 6
2472 C5 CR1 0.000 7
2473 C2* CH2 0.000 8
2474 C3* CH1 0.000 8
2475 O3* OA -0.360 9
2476 [ bonds ]
2477 P O1P gb_23
2478 P O2P gb_23
2479 P O5* gb_27
2480 O5* C5* gb_19
2481 C5* C4* gb_25
2482 C4* O4* gb_19
2483 C4* C3* gb_25
2484 O4* C1* gb_19
2485 C1* N1 gb_22
2486 C1* C2* gb_25
2487 N1 C6 gb_16
2488 N1 C2 gb_16
2489 C6 C5 gb_15
2490 C2 O2 gb_4
2491 C2 N3 gb_11
2492 N3 C4 gb_11
2493 C4 N4 gb_8
2494 C4 C5 gb_15
2495 N4 H41 gb_2
2496 N4 H42 gb_2
2497 C2* C3* gb_25
2498 C3* O3* gb_19
2499 O3* +N gb_27
2500 [ angles ]
2501 ; ai aj ak gromos type
2502 O3* P O1P ga_13
2503 O3* P O2P ga_13
2504 O3* P O5* ga_4
2505 O1P P O2P ga_28
2506 O1P P O5* ga_13
2507 O2P P O5* ga_13
2508 P O5* C5* ga_25
2509 O5* C5* C4* ga_8
2510 C5* C4* O4* ga_8
2511 C5* C4* C3* ga_7
2512 O4* C4* C3* ga_8
2513 C4* O4* C1* ga_9
2514 O4* C1* N1 ga_8
2515 O4* C1* C2* ga_8
2516 N1 C1* C2* ga_7
2517 C1* N1 C6 ga_26
2518 C1* N1 C2 ga_26
2519 C6 N1 C2 ga_26
2520 N1 C6 C5 ga_26
2521 N1 C2 O2 ga_26
2522 N1 C2 N3 ga_26
2523 O2 C2 N3 ga_26
2524 C2 N3 C4 ga_26
2525 N3 C4 N4 ga_26
2526 N3 C4 C5 ga_26
2527 N4 C4 C5 ga_26
2528 C4 N4 H41 ga_22
2529 C4 N4 H42 ga_22
2530 H41 N4 H42 ga_23
2531 C6 C5 C4 ga_26
2532 C1* C2* C3* ga_7
2533 C4* C3* C2* ga_7
2534 C4* C3* O3* ga_8
2535 C2* C3* O3* ga_8
2536 C3* O3* +N ga_25
2537 [ impropers ]
2538 ; ai aj ak al gromos type
2539 C4* O4* C5* C3* gi_2
2540 C3* C2* O3* C4* gi_2
2541 C1* N1 O4* C2* gi_2
2542 N1 C6 C2 C1* gi_1
2543 C2 N1 C6 C5 gi_1
2544 C6 N1 C2 N3 gi_1
2545 N1 C6 C5 C4 gi_1
2546 N1 C2 N3 C4 gi_1
2547 C6 C5 C4 N3 gi_1
2548 C2 N3 C4 C5 gi_1
2549 C2 N3 N1 O2 gi_1
2550 C4 C5 N3 N4 gi_1
2551 N4 H41 H42 C4 gi_1
2552 [ dihedrals ]
2553 ; ai aj ak al gromos type
2554 -C O3* P O5* gd_11
2555 -C O3* P O5* gd_9
2556 O3* P O5* C5* gd_11
2557 O3* P O5* C5* gd_9
2558 P O5* C5* C4* gd_14
2559 O5* C5* C4* C3* gd_17
2560 O5* C5* C4* C3* gd_7
2561 O5* C5* C4* O4* gd_8
2562 C5* C4* C3* C2* gd_17
2563 C5* C4* C3* O3* gd_7
2564 O4* C4* C3* C2* gd_7
2565 O4* C4* C3* O3* gd_8
2566 C4* C3* C2* C1* gd_17
2567 O3* C3* C2* C1* gd_7
2568 C3* C2* C1* O4* gd_17
2569 C3* C2* C1* O4* gd_7
2570 C3* C4* O4* C1* gd_14
2571 C4* O4* C1* C2* gd_14
2572 O4* C1* N1 C2 gd_6
2573 N3 C4 N4 H41 gd_4
2574 C4* C3* O3* +N gd_14
2575 [ DTHY ]
2576 [ atoms ]
2577 P P 1.440 0
2578 O1P OM -0.360 0
2579 O2P OM -0.360 0
2580 O5* OA -0.360 0
2581 C5* CH2 0.000 1
2582 C4* CH1 0.160 2
2583 O4* OA -0.360 2
2584 C1* CH1 0.200 2
2585 N1 NR -0.200 3
2586 C6 CR1 0.200 3
2587 C2 C 0.380 4
2588 O2 O -0.380 4
2589 N3 NR -0.280 5
2590 H3 H 0.280 5
2591 C4 C 0.380 6
2592 O4 O -0.380 6
2593 C5 C 0.000 7
2594 C5M CH3 0.000 7
2595 C2* CH2 0.000 8
2596 C3* CH1 0.000 8
2597 O3* OA -0.360 9
2598 [ bonds ]
2599 P O1P gb_23
2600 P O2P gb_23
2601 P O5* gb_27
2602 O5* C5* gb_19
2603 C5* C4* gb_25
2604 C4* O4* gb_19
2605 C4* C3* gb_25
2606 O4* C1* gb_19
2607 C1* N1 gb_22
2608 C1* C2* gb_25
2609 N1 C6 gb_16
2610 N1 C2 gb_16
2611 C6 C5 gb_15
2612 C2 O2 gb_4
2613 C2 N3 gb_16
2614 N3 H3 gb_2
2615 N3 C4 gb_16
2616 C4 O4 gb_4
2617 C4 C5 gb_15
2618 C5 C5M gb_26
2619 C2* C3* gb_25
2620 C3* O3* gb_19
2621 O3* +N gb_27
2622 [ angles ]
2623 ; ai aj ak gromos type
2624 O3* P O1P ga_13
2625 O3* P O2P ga_13
2626 O3* P O5* ga_4
2627 O1P P O2P ga_28
2628 O1P P O5* ga_13
2629 O2P P O5* ga_13
2630 P O5* C5* ga_25
2631 O5* C5* C4* ga_8
2632 C5* C4* O4* ga_8
2633 C5* C4* C3* ga_7
2634 O4* C4* C3* ga_8
2635 C4* O4* C1* ga_9
2636 O4* C1* N1 ga_8
2637 O4* C1* C2* ga_8
2638 N1 C1* C2* ga_7
2639 C1* N1 C6 ga_26
2640 C1* N1 C2 ga_26
2641 C6 N1 C2 ga_26
2642 N1 C6 C5 ga_26
2643 N1 C2 O2 ga_26
2644 N1 C2 N3 ga_26
2645 O2 C2 N3 ga_26
2646 C2 N3 H3 ga_24
2647 C2 N3 C4 ga_26
2648 H3 N3 C4 ga_24
2649 N3 C4 O4 ga_26
2650 N3 C4 C5 ga_26
2651 O4 C4 C5 ga_26
2652 C6 C5 C4 ga_26
2653 C6 C5 C5M ga_26
2654 C4 C5 C5M ga_26
2655 C1* C2* C3* ga_7
2656 C4* C3* C2* ga_7
2657 C4* C3* O3* ga_8
2658 C2* C3* O3* ga_8
2659 C3* O3* +N ga_25
2660 [ impropers ]
2661 ; ai aj ak al gromos type
2662 C4* O4* C5* C3* gi_2
2663 C3* C2* O3* C4* gi_2
2664 C1* N1 O4* C2* gi_2
2665 N1 C6 C2 C1* gi_1
2666 C2 N1 C6 C5 gi_1
2667 C6 N1 C2 N3 gi_1
2668 N1 C6 C5 C4 gi_1
2669 N1 C2 N3 C4 gi_1
2670 C6 C5 C4 N3 gi_1
2671 C2 N3 C4 C5 gi_1
2672 C2 N3 N1 O2 gi_1
2673 N3 C4 C2 H3 gi_1
2674 C4 C5 N3 O4 gi_1
2675 C5 C6 C4 C5M gi_1
2676 [ dihedrals ]
2677 ; ai aj ak al gromos type
2678 -C O3* P O5* gd_11
2679 -C O3* P O5* gd_9
2680 O3* P O5* C5* gd_11
2681 O3* P O5* C5* gd_9
2682 P O5* C5* C4* gd_14
2683 O5* C5* C4* C3* gd_17
2684 O5* C5* C4* C3* gd_7
2685 O5* C5* C4* O4* gd_8
2686 C5* C4* C3* C2* gd_17
2687 C5* C4* C3* O3* gd_7
2688 O4* C4* C3* C2* gd_7
2689 O4* C4* C3* O3* gd_8
2690 C4* C3* C2* C1* gd_17
2691 O3* C3* C2* C1* gd_7
2692 C3* C2* C1* O4* gd_17
2693 C3* C2* C1* O4* gd_7
2694 C3* C4* O4* C1* gd_14
2695 C4* O4* C1* C2* gd_14
2696 O4* C1* N1 C2 gd_6
2697 C4* C3* O3* +N gd_14
2698 [ ADE ]
2699 [ atoms ]
2700 P P 1.440 0
2701 O1P OM -0.360 0
2702 O2P OM -0.360 0
2703 O5* OA -0.360 0
2704 C5* CH2 0.000 1
2705 C4* CH1 0.160 2
2706 O4* OA -0.360 2
2707 C1* CH1 0.200 2
2708 N9 NR -0.200 3
2709 C4 C 0.200 3
2710 N3 NR -0.360 4
2711 C2 CR1 0.360 4
2712 N1 NR -0.360 5
2713 C6 C 0.360 5
2714 N6 NT -0.830 6
2715 H61 H 0.415 6
2716 H62 H 0.415 6
2717 C5 C 0.000 7
2718 N7 NR -0.360 7
2719 C8 CR1 0.360 7
2720 C2* CH1 0.150 8
2721 O2* OA -0.548 8
2722 H2* H 0.398 8
2723 C3* CH1 0.000 9
2724 O3* OA -0.360 10
2725 [ bonds ]
2726 P O1P gb_23
2727 P O2P gb_23
2728 P O5* gb_27
2729 O5* C5* gb_19
2730 C5* C4* gb_25
2731 C4* O4* gb_19
2732 C4* C3* gb_25
2733 O4* C1* gb_19
2734 C1* N9 gb_21
2735 C1* C2* gb_25
2736 N9 C4 gb_9
2737 N9 C8 gb_9
2738 C4 N3 gb_11
2739 C4 C5 gb_15
2740 N3 C2 gb_6
2741 C2 N1 gb_6
2742 N1 C6 gb_11
2743 C6 N6 gb_8
2744 C6 C5 gb_15
2745 N6 H61 gb_2
2746 N6 H62 gb_2
2747 C5 N7 gb_9
2748 N7 C8 gb_9
2749 C2* O2* gb_19
2750 O2* H2* gb_1
2751 C2* C3* gb_25
2752 C3* O3* gb_19
2753 O3* +N gb_27
2754 [ angles ]
2755 ; ai aj ak gromos type
2756 O3* P O1P ga_13
2757 O3* P O2P ga_13
2758 O3* P O5* ga_4
2759 O1P P O2P ga_28
2760 O1P P O5* ga_13
2761 O2P P O5* ga_13
2762 P O5* C5* ga_25
2763 O5* C5* C4* ga_8
2764 C5* C4* O4* ga_8
2765 C5* C4* C3* ga_7
2766 O4* C4* C3* ga_8
2767 C4* O4* C1* ga_9
2768 O4* C1* N9 ga_8
2769 O4* C1* C2* ga_8
2770 N9 C1* C2* ga_8
2771 C1* N9 C4 ga_36
2772 C1* N9 C8 ga_36
2773 C4 N9 C8 ga_6
2774 N9 C4 N3 ga_38
2775 N9 C4 C5 ga_6
2776 N3 C4 C5 ga_26
2777 C4 N3 C2 ga_26
2778 N3 C2 N1 ga_26
2779 C2 N1 C6 ga_26
2780 N1 C6 N6 ga_26
2781 N1 C6 C5 ga_26
2782 N6 C6 C5 ga_26
2783 C6 N6 H61 ga_22
2784 C6 N6 H62 ga_22
2785 H61 N6 H62 ga_23
2786 C4 C5 C6 ga_26
2787 C4 C5 N7 ga_6
2788 C6 C5 N7 ga_38
2789 C5 N7 C8 ga_6
2790 N9 C8 N7 ga_6
2791 C1* C2* C3* ga_7
2792 C1* C2* O2* ga_8
2793 O2* C2* C3* ga_8
2794 C2* O2* H2* ga_11
2795 C4* C3* C2* ga_7
2796 C4* C3* O3* ga_8
2797 C2* C3* O3* ga_8
2798 C3* O3* +N ga_25
2799 [ impropers ]
2800 ; ai aj ak al gromos type
2801 C4* O4* C5* C3* gi_2
2802 C3* C2* O3* C4* gi_2
2803 C1* N9 O4* C2* gi_2
2804 N9 C8 C4 C1* gi_1
2805 C4 N9 C8 N7 gi_1
2806 C8 N9 C4 C5 gi_1
2807 N9 C8 N7 C5 gi_1
2808 N9 C4 C5 N7 gi_1
2809 C8 N7 C5 C4 gi_1
2810 C4 N9 N3 C5 gi_1
2811 C5 C6 N7 C4 gi_1
2812 N3 C4 C5 C6 gi_1
2813 C4 C5 C6 N1 gi_1
2814 C5 C4 N3 C2 gi_1
2815 C5 C6 N1 C2 gi_1
2816 C4 N3 C2 N1 gi_1
2817 N3 C2 N1 C6 gi_1
2818 C6 C5 N1 N6 gi_1
2819 N6 H61 H62 C6 gi_1
2820 C2* O2* C3* C1* gi_2
2821 [ dihedrals ]
2822 ; ai aj ak al gromos type
2823 -C O3* P O5* gd_11
2824 -C O3* P O5* gd_9
2825 O3* P O5* C5* gd_11
2826 O3* P O5* C5* gd_9
2827 P O5* C5* C4* gd_14
2828 O5* C5* C4* C3* gd_17
2829 O5* C5* C4* C3* gd_7
2830 O5* C5* C4* O4* gd_8
2831 C5* C4* C3* C2* gd_17
2832 C5* C4* C3* O3* gd_7
2833 O4* C4* C3* C2* gd_7
2834 O4* C4* C3* O3* gd_8
2835 C4* C3* C2* C1* gd_17
2836 O3* C3* C2* C1* gd_7
2837 C4* C3* C2* O2* gd_7
2838 O3* C3* C2* O2* gd_8
2839 C3* C2* C1* O4* gd_17
2840 C3* C2* C1* O4* gd_7
2841 O2* C2* C1* N9 gd_7
2842 O2* C2* C1* O4* gd_8
2843 C1* C2* O2* H2* gd_12
2844 C3* C4* O4* C1* gd_14
2845 C4* O4* C1* C2* gd_14
2846 O4* C1* N9 C4 gd_6
2847 C5 C6 N6 H61 gd_4
2848 C4* C3* O3* +N gd_14
2849 [ GUA ]
2850 [ atoms ]
2851 P P 1.440 0
2852 O1P OM -0.360 0
2853 O2P OM -0.360 0
2854 O5* OA -0.360 0
2855 C5* CH2 0.000 1
2856 C4* CH1 0.160 2
2857 O4* OA -0.360 2
2858 C1* CH1 0.200 2
2859 N9 NR -0.200 3
2860 C4 C 0.200 3
2861 N3 NR -0.360 4
2862 C2 C 0.360 4
2863 N2 NT -0.830 5
2864 H21 H 0.415 5
2865 H22 H 0.415 5
2866 N1 NR -0.280 6
2867 H1 H 0.280 6
2868 C6 C 0.380 7
2869 O6 O -0.380 7
2870 C5 C 0.000 8
2871 N7 NR -0.360 8
2872 C8 CR1 0.360 8
2873 C2* CH1 0.150 9
2874 O2* OA -0.548 9
2875 H2* H 0.398 9
2876 C3* CH1 0.000 10
2877 O3* OA -0.360 11
2878 [ bonds ]
2879 P O1P gb_23
2880 P O2P gb_23
2881 P O5* gb_27
2882 O5* C5* gb_19
2883 C5* C4* gb_25
2884 C4* O4* gb_19
2885 C4* C3* gb_25
2886 O4* C1* gb_19
2887 C1* N9 gb_21
2888 C1* C2* gb_25
2889 N9 C4 gb_9
2890 N9 C8 gb_9
2891 C4 N3 gb_11
2892 C4 C5 gb_15
2893 N3 C2 gb_11
2894 C2 N2 gb_8
2895 C2 N1 gb_16
2896 N2 H21 gb_2
2897 N2 H22 gb_2
2898 N1 H1 gb_2
2899 N1 C6 gb_16
2900 C6 O6 gb_4
2901 C6 C5 gb_15
2902 C5 N7 gb_9
2903 N7 C8 gb_9
2904 C2* O2* gb_19
2905 O2* H2* gb_1
2906 C2* C3* gb_25
2907 C3* O3* gb_19
2908 O3* +N gb_27
2909 [ angles ]
2910 ; ai aj ak gromos type
2911 O3* P O1P ga_13
2912 O3* P O2P ga_13
2913 O3* P O5* ga_4
2914 O1P P O2P ga_28
2915 O1P P O5* ga_13
2916 O2P P O5* ga_13
2917 P O5* C5* ga_25
2918 O5* C5* C4* ga_8
2919 C5* C4* O4* ga_8
2920 C5* C4* C3* ga_7
2921 O4* C4* C3* ga_8
2922 C4* O4* C1* ga_9
2923 O4* C1* N9 ga_8
2924 O4* C1* C2* ga_8
2925 N9 C1* C2* ga_8
2926 C1* N9 C4 ga_36
2927 C1* N9 C8 ga_36
2928 C4 N9 C8 ga_6
2929 N9 C4 N3 ga_38
2930 N9 C4 C5 ga_6
2931 N3 C4 C5 ga_26
2932 C4 N3 C2 ga_26
2933 N3 C2 N2 ga_26
2934 N3 C2 N1 ga_26
2935 N2 C2 N1 ga_26
2936 C2 N2 H21 ga_22
2937 C2 N2 H22 ga_22
2938 H21 N2 H22 ga_23
2939 C2 N1 H1 ga_24
2940 C2 N1 C6 ga_26
2941 H1 N1 C6 ga_24
2942 N1 C6 O6 ga_26
2943 N1 C6 C5 ga_26
2944 O6 C6 C5 ga_26
2945 C4 C5 C6 ga_26
2946 C4 C5 N7 ga_6
2947 C6 C5 N7 ga_38
2948 C5 N7 C8 ga_6
2949 N9 C8 N7 ga_6
2950 C1* C2* C3* ga_7
2951 C1* C2* O2* ga_8
2952 O2* C2* C3* ga_8
2953 C2* O2* H2* ga_11
2954 C4* C3* C2* ga_7
2955 C4* C3* O3* ga_8
2956 C2* C3* O3* ga_8
2957 C3* O3* +N ga_25
2958 [ impropers ]
2959 ; ai aj ak al gromos type
2960 C4* O4* C5* C3* gi_2
2961 C3* C2* O3* C4* gi_2
2962 C1* N9 O4* C2* gi_2
2963 N9 C8 C4 C1* gi_1
2964 C4 N9 C8 N7 gi_1
2965 C8 N9 C4 C5 gi_1
2966 N9 C8 N7 C5 gi_1
2967 N9 C4 C5 N7 gi_1
2968 C8 N7 C5 C4 gi_1
2969 C4 N9 N3 C5 gi_1
2970 C5 C6 N7 C4 gi_1
2971 N3 C4 C5 C6 gi_1
2972 C4 C5 C6 N1 gi_1
2973 C5 C4 N3 C2 gi_1
2974 C5 C6 N1 C2 gi_1
2975 C4 N3 C2 N1 gi_1
2976 N3 C2 N1 C6 gi_1
2977 C2 N1 N3 N2 gi_1
2978 N2 H21 H22 C2 gi_1
2979 N1 C6 C2 H1 gi_1
2980 C6 C5 N1 O6 gi_1
2981 C2* O2* C3* C1* gi_2
2982 [ dihedrals ]
2983 ; ai aj ak al gromos type
2984 -C O3* P O5* gd_11
2985 -C O3* P O5* gd_9
2986 O3* P O5* C5* gd_11
2987 O3* P O5* C5* gd_9
2988 P O5* C5* C4* gd_14
2989 O5* C5* C4* C3* gd_17
2990 O5* C5* C4* C3* gd_7
2991 O5* C5* C4* O4* gd_8
2992 C5* C4* C3* C2* gd_17
2993 C5* C4* C3* O3* gd_7
2994 O4* C4* C3* C2* gd_7
2995 O4* C4* C3* O3* gd_8
2996 C4* C3* C2* C1* gd_17
2997 O3* C3* C2* C1* gd_7
2998 C4* C3* C2* O2* gd_7
2999 O3* C3* C2* O2* gd_8
3000 C3* C2* C1* O4* gd_17
3001 C3* C2* C1* O4* gd_7
3002 O2* C2* C1* N9 gd_7
3003 O2* C2* C1* O4* gd_8
3004 C1* C2* O2* H2* gd_12
3005 C3* C4* O4* C1* gd_14
3006 C4* O4* C1* C2* gd_14
3007 O4* C1* N9 C4 gd_6
3008 N3 C2 N2 H21 gd_4
3009 C4* C3* O3* +N gd_14
3010 [ CYT ]
3011 [ atoms ]
3012 P P 1.440 0
3013 O1P OM -0.360 0
3014 O2P OM -0.360 0
3015 O5* OA -0.360 0
3016 C5* CH2 0.000 1
3017 C4* CH1 0.160 2
3018 O4* OA -0.360 2
3019 C1* CH1 0.200 2
3020 N1 NR -0.200 3
3021 C6 CR1 0.200 3
3022 C2 C 0.380 4
3023 O2 O -0.380 4
3024 N3 NR -0.360 5
3025 C4 C 0.360 5
3026 N4 NT -0.830 6
3027 H41 H 0.415 6
3028 H42 H 0.415 6
3029 C5 CR1 0.000 7
3030 C2* CH1 0.150 8
3031 O2* OA -0.548 8
3032 H2* H 0.398 8
3033 C3* CH1 0.000 9
3034 O3* OA -0.360 10
3035 [ bonds ]
3036 P O1P gb_23
3037 P O2P gb_23
3038 P O5* gb_27
3039 O5* C5* gb_19
3040 C5* C4* gb_25
3041 C4* O4* gb_19
3042 C4* C3* gb_25
3043 O4* C1* gb_19
3044 C1* N1 gb_22
3045 C1* C2* gb_25
3046 N1 C6 gb_16
3047 N1 C2 gb_16
3048 C6 C5 gb_15
3049 C2 O2 gb_4
3050 C2 N3 gb_11
3051 N3 C4 gb_11
3052 C4 N4 gb_8
3053 C4 C5 gb_15
3054 N4 H41 gb_2
3055 N4 H42 gb_2
3056 C2* O2* gb_19
3057 O2* H2* gb_1
3058 C2* C3* gb_25
3059 C3* O3* gb_19
3060 O3* +N gb_27
3061 [ angles ]
3062 ; ai aj ak gromos type
3063 O3* P O1P ga_13
3064 O3* P O2P ga_13
3065 O3* P O5* ga_4
3066 O1P P O2P ga_28
3067 O1P P O5* ga_13
3068 O2P P O5* ga_13
3069 P O5* C5* ga_25
3070 O5* C5* C4* ga_8
3071 C5* C4* O4* ga_8
3072 C5* C4* C3* ga_7
3073 O4* C4* C3* ga_8
3074 C4* O4* C1* ga_9
3075 O4* C1* N1 ga_8
3076 O4* C1* C2* ga_8
3077 N1 C1* C2* ga_7
3078 C1* N1 C6 ga_26
3079 C1* N1 C2 ga_26
3080 C6 N1 C2 ga_26
3081 N1 C6 C5 ga_26
3082 N1 C2 O2 ga_26
3083 N1 C2 N3 ga_26
3084 O2 C2 N3 ga_26
3085 C2 N3 C4 ga_26
3086 N3 C4 N4 ga_26
3087 N3 C4 C5 ga_26
3088 N4 C4 C5 ga_26
3089 C4 N4 H41 ga_22
3090 C4 N4 H42 ga_22
3091 H41 N4 H42 ga_23
3092 C6 C5 C4 ga_26
3093 C1* C2* C3* ga_7
3094 C1* C2* O2* ga_8
3095 O2* C2* C3* ga_8
3096 C2* O2* H2* ga_11
3097 C4* C3* C2* ga_7
3098 C4* C3* O3* ga_8
3099 C2* C3* O3* ga_8
3100 C3* O3* +N ga_25
3101 [ impropers ]
3102 ; ai aj ak al gromos type
3103 C4* O4* C5* C3* gi_2
3104 C3* C2* O3* C4* gi_2
3105 C1* N1 O4* C2* gi_2
3106 N1 C6 C2 C1* gi_1
3107 C2 N1 C6 C5 gi_1
3108 C6 N1 C2 N3 gi_1
3109 N1 C6 C5 C4 gi_1
3110 N1 C2 N3 C4 gi_1
3111 C6 C5 C4 N3 gi_1
3112 C2 N3 C4 C5 gi_1
3113 C2 N3 N1 O2 gi_1
3114 C4 C5 N3 N4 gi_1
3115 N4 H41 H42 C4 gi_1
3116 C2* O2* C3* C1* gi_2
3117 [ dihedrals ]
3118 ; ai aj ak al gromos type
3119 -C O3* P O5* gd_11
3120 -C O3* P O5* gd_9
3121 O3* P O5* C5* gd_11
3122 O3* P O5* C5* gd_9
3123 P O5* C5* C4* gd_14
3124 O5* C5* C4* C3* gd_17
3125 O5* C5* C4* C3* gd_7
3126 O5* C5* C4* O4* gd_8
3127 C5* C4* C3* C2* gd_17
3128 C5* C4* C3* O3* gd_7
3129 O4* C4* C3* C2* gd_7
3130 O4* C4* C3* O3* gd_8
3131 C4* C3* C2* C1* gd_17
3132 O3* C3* C2* C1* gd_7
3133 C4* C3* C2* O2* gd_7
3134 O3* C3* C2* O2* gd_8
3135 C3* C2* C1* O4* gd_17
3136 C3* C2* C1* O4* gd_7
3137 O2* C2* C1* N1 gd_7
3138 O2* C2* C1* O4* gd_8
3139 C1* C2* O2* H2* gd_12
3140 C3* C4* O4* C1* gd_14
3141 C4* O4* C1* C2* gd_14
3142 O4* C1* N1 C2 gd_6
3143 N3 C4 N4 H41 gd_4
3144 C4* C3* O3* +N gd_14
3145 [ URA ]
3146 [ atoms ]
3147 P P 1.440 0
3148 O1P OM -0.360 0
3149 O2P OM -0.360 0
3150 O5* OA -0.360 0
3151 C5* CH2 0.000 1
3152 C4* CH1 0.160 2
3153 O4* OA -0.360 2
3154 C1* CH1 0.200 2
3155 N1 NR -0.200 3
3156 C6 CR1 0.200 3
3157 C2 C 0.380 4
3158 O2 O -0.380 4
3159 N3 NR -0.280 5
3160 H3 H 0.280 5
3161 C4 C 0.380 6
3162 O4 O -0.380 6
3163 C5 CR1 0.000 7
3164 C2* CH1 0.150 8
3165 O2* OA -0.548 8
3166 H2* H 0.398 8
3167 C3* CH1 0.000 9
3168 O3* OA -0.360 10
3169 [ bonds ]
3170 P O1P gb_23
3171 P O2P gb_23
3172 P O5* gb_27
3173 O5* C5* gb_19
3174 C5* C4* gb_25
3175 C4* O4* gb_19
3176 C4* C3* gb_25
3177 O4* C1* gb_19
3178 C1* N1 gb_22
3179 C1* C2* gb_25
3180 N1 C6 gb_16
3181 N1 C2 gb_16
3182 C6 C5 gb_15
3183 C2 O2 gb_4
3184 C2 N3 gb_16
3185 N3 H3 gb_2
3186 N3 C4 gb_16
3187 C4 O4 gb_4
3188 C4 C5 gb_15
3189 C2* O2* gb_19
3190 O2* H2* gb_1
3191 C2* C3* gb_25
3192 C3* O3* gb_19
3193 O3* +N gb_27
3194 [ angles ]
3195 ; ai aj ak gromos type
3196 O3* P O1P ga_13
3197 O3* P O2P ga_13
3198 O3* P O5* ga_4
3199 O1P P O2P ga_28
3200 O1P P O5* ga_13
3201 O2P P O5* ga_13
3202 P O5* C5* ga_25
3203 O5* C5* C4* ga_8
3204 C5* C4* O4* ga_8
3205 C5* C4* C3* ga_7
3206 O4* C4* C3* ga_8
3207 C4* O4* C1* ga_9
3208 O4* C1* N1 ga_8
3209 O4* C1* C2* ga_8
3210 N1 C1* C2* ga_7
3211 C1* N1 C6 ga_26
3212 C1* N1 C2 ga_26
3213 C6 N1 C2 ga_26
3214 N1 C6 C5 ga_26
3215 N1 C2 O2 ga_26
3216 N1 C2 N3 ga_26
3217 O2 C2 N3 ga_26
3218 C2 N3 H3 ga_24
3219 C2 N3 C4 ga_26
3220 H3 N3 C4 ga_24
3221 N3 C4 O4 ga_26
3222 N3 C4 C5 ga_26
3223 O4 C4 C5 ga_26
3224 C6 C5 C4 ga_26
3225 C1* C2* C3* ga_7
3226 C1* C2* O2* ga_8
3227 O2* C2* C3* ga_8
3228 C2* O2* H2* ga_11
3229 C4* C3* C2* ga_7
3230 C4* C3* O3* ga_8
3231 C2* C3* O3* ga_8
3232 C3* O3* +N ga_25
3233 [ impropers ]
3234 ; ai aj ak al gromos type
3235 C4* O4* C5* C3* gi_2
3236 C3* C2* O3* C4* gi_2
3237 C1* N1 O4* C2* gi_2
3238 N1 C6 C2 C1* gi_1
3239 C2 N1 C6 C5 gi_1
3240 C6 N1 C2 N3 gi_1
3241 N1 C6 C5 C4 gi_1
3242 N1 C2 N3 C4 gi_1
3243 C6 C5 C4 N3 gi_1
3244 C2 N3 C4 C5 gi_1
3245 C2 N3 N1 O2 gi_1
3246 N3 C4 C2 H3 gi_1
3247 C4 C5 N3 O4 gi_1
3248 C2* O2* C3* C1* gi_2
3249 [ dihedrals ]
3250 ; ai aj ak al gromos type
3251 -C O3* P O5* gd_11
3252 -C O3* P O5* gd_9
3253 O3* P O5* C5* gd_11
3254 O3* P O5* C5* gd_9
3255 P O5* C5* C4* gd_14
3256 O5* C5* C4* C3* gd_17
3257 O5* C5* C4* C3* gd_7
3258 O5* C5* C4* O4* gd_8
3259 C5* C4* C3* C2* gd_17
3260 C5* C4* C3* O3* gd_7
3261 O4* C4* C3* C2* gd_7
3262 O4* C4* C3* O3* gd_8
3263 C4* C3* C2* C1* gd_17
3264 O3* C3* C2* C1* gd_7
3265 C4* C3* C2* O2* gd_7
3266 O3* C3* C2* O2* gd_8
3267 C3* C2* C1* O4* gd_17
3268 C3* C2* C1* O4* gd_7
3269 O2* C2* C1* N1 gd_7
3270 O2* C2* C1* O4* gd_8
3271 C1* C2* O2* H2* gd_12
3272 C3* C4* O4* C1* gd_14
3273 C4* O4* C1* C2* gd_14
3274 O4* C1* N1 C2 gd_6
3275 C4* C3* O3* +N gd_14
3276 [ FMNO ]
3277 [ atoms ]
3278 FC9A C 0.200 0
3279 FN10 NR -0.200 0
3280 FC10A C 0.360 1
3281 FN1 NR -0.360 1
3282 FC2 C 0.380 2
3283 FO2 O -0.380 2
3284 FN3 NR -0.280 3
3285 FH3 H 0.280 3
3286 FC4 C 0.380 4
3287 FO4 O -0.380 4
3288 FC4A C 0.180 5
3289 FN5 NR -0.280 5
3290 FC5A C 0.100 5
3291 FC6 CR1 0.000 6
3292 FC7 C 0.000 7
3293 FCM7 CH3 0.000 7
3294 FC8 C 0.000 8
3295 FCM8 CH3 0.000 8
3296 FC9 CR1 0.000 9
3297 FCA CH2 0.000 10
3298 FCB CH1 0.150 11
3299 FOB OA -0.548 11
3300 FHB H 0.398 11
3301 FCG CH1 0.150 12
3302 FOG OA -0.548 12
3303 FHG H 0.398 12
3304 FCD CH1 0.150 13
3305 FOD OA -0.548 13
3306 FHD H 0.398 13
3307 FCE CH2 0.150 14
3308 FOZ OA -0.360 14
3309 FPH P 1.080 14
3310 FOH OA -0.548 14
3311 FHH H 0.398 14
3312 FOT1 OM -0.360 14
3313 FOT2 OM -0.360 14
3314 [ bonds ]
3315 FC9A FN10 gb_16
3316 FC9A FC5A gb_15
3317 FC9A FC9 gb_15
3318 FN10 FC10A gb_16
3319 FN10 FCA gb_22
3320 FC10A FN1 gb_11
3321 FC10A FC4A gb_15
3322 FN1 FC2 gb_11
3323 FC2 FO2 gb_4
3324 FC2 FN3 gb_16
3325 FN3 FH3 gb_2
3326 FN3 FC4 gb_16
3327 FC4 FO4 gb_4
3328 FC4 FC4A gb_15
3329 FC4A FN5 gb_11
3330 FN5 FC5A gb_11
3331 FC5A FC6 gb_15
3332 FC6 FC7 gb_15
3333 FC7 FCM7 gb_26
3334 FC7 FC8 gb_15
3335 FC8 FCM8 gb_26
3336 FC8 FC9 gb_15
3337 FCA FCB gb_26
3338 FCB FOB gb_17
3339 FCB FCG gb_26
3340 FOB FHB gb_1
3341 FCG FOG gb_17
3342 FCG FCD gb_26
3343 FOG FHG gb_1
3344 FCD FOD gb_17
3345 FCD FCE gb_26
3346 FOD FHD gb_1
3347 FCE FOZ gb_17
3348 FOZ FPH gb_27
3349 FPH FOH gb_27
3350 FPH FOT1 gb_23
3351 FPH FOT2 gb_23
3352 FOH FHH gb_1
3353 [ angles ]
3354 ; ai aj ak gromos type
3355 FN10 FC9A FC5A ga_26
3356 FN10 FC9A FC9 ga_26
3357 FC5A FC9A FC9 ga_26
3358 FC9A FN10 FC10A ga_26
3359 FC9A FN10 FCA ga_26
3360 FC10A FN10 FCA ga_26
3361 FN10 FC10A FN1 ga_26
3362 FN10 FC10A FC4A ga_26
3363 FN1 FC10A FC4A ga_26
3364 FC10A FN1 FC2 ga_26
3365 FN1 FC2 FO2 ga_26
3366 FN1 FC2 FN3 ga_26
3367 FO2 FC2 FN3 ga_26
3368 FC2 FN3 FH3 ga_24
3369 FC2 FN3 FC4 ga_26
3370 FH3 FN3 FC4 ga_24
3371 FN3 FC4 FO4 ga_26
3372 FN3 FC4 FC4A ga_26
3373 FO4 FC4 FC4A ga_26
3374 FC10A FC4A FC4 ga_26
3375 FC10A FC4A FN5 ga_26
3376 FC4 FC4A FN5 ga_26
3377 FC4A FN5 FC5A ga_26
3378 FC9A FC5A FN5 ga_26
3379 FC9A FC5A FC6 ga_26
3380 FN5 FC5A FC6 ga_26
3381 FC5A FC6 FC7 ga_26
3382 FC6 FC7 FCM7 ga_26
3383 FC6 FC7 FC8 ga_26
3384 FCM7 FC7 FC8 ga_26
3385 FC7 FC8 FCM8 ga_26
3386 FC7 FC8 FC9 ga_26
3387 FCM8 FC8 FC9 ga_26
3388 FC9A FC9 FC8 ga_26
3389 FN10 FCA FCB ga_14
3390 FCA FCB FOB ga_14
3391 FCA FCB FCG ga_14
3392 FOB FCB FCG ga_12
3393 FCB FOB FHB ga_11
3394 FCB FCG FOG ga_12
3395 FCB FCG FCD ga_14
3396 FOG FCG FCD ga_12
3397 FCG FOG FHG ga_11
3398 FCG FCD FOD ga_12
3399 FCG FCD FCE ga_14
3400 FOD FCD FCE ga_14
3401 FCD FOD FHD ga_11
3402 FCD FCE FOZ ga_14
3403 FCE FOZ FPH ga_25
3404 FOZ FPH FOH ga_4
3405 FOZ FPH FOT1 ga_13
3406 FOZ FPH FOT2 ga_13
3407 FOH FPH FOT1 ga_13
3408 FOH FPH FOT2 ga_13
3409 FOT1 FPH FOT2 ga_28
3410 FPH FOH FHH ga_11
3411 [ impropers ]
3412 ; ai aj ak al gromos type
3413 FC2 FN1 FN3 FO2 gi_1
3414 FN3 FC2 FC4 FH3 gi_1
3415 FC4 FN3 FC4A FO4 gi_1
3416 FN1 FC2 FN3 FC4 gi_1
3417 FC2 FN3 FC4 FC4A gi_1
3418 FN3 FC4 FC4A FC10A gi_1
3419 FC4 FC4A FC10A FN1 gi_1
3420 FC4A FC10A FN1 FC2 gi_1
3421 FC10A FN1 FC2 FN3 gi_1
3422 FC4A FC4 FN5 FC10A gi_1
3423 FC10A FN1 FN10 FC4A gi_1
3424 FN10 FC10A FC4A FN5 gi_1
3425 FN10 FC9A FC5A FN5 gi_1
3426 FC5A FN5 FC6 FC9A gi_1
3427 FC9A FN10 FC9 FC5A gi_1
3428 FC5A FC6 FC7 FC8 gi_1
3429 FC6 FC7 FC8 FC9 gi_1
3430 FC7 FC8 FC9 FC9A gi_1
3431 FC8 FC9 FC9A FC5A gi_1
3432 FC9 FC9A FC5A FC6 gi_1
3433 FC9A FC5A FC6 FC7 gi_1
3434 FC7 FC6 FC8 FCM7 gi_1
3435 FC8 FC7 FC9 FCM8 gi_1
3436 FCB FOB FCG FCA gi_2
3437 FCG FOG FCD FCB gi_2
3438 FCD FOD FCE FCG gi_2
3439 [ dihedrals ]
3440 ; ai aj ak al gromos type
3441 FC10A FC4A FN5 FC5A gd_4
3442 FC4A FN5 FC5A FC9A gd_4
3443 FC5A FC9A FN10 FC10A gd_4
3444 FC9A FN10 FC10A FC4A gd_4
3445 FC9A FN10 FCA FCB gd_20
3446 FN10 FCA FCB FCG gd_17
3447 FCA FCB FOB FHB gd_12
3448 FCA FCB FCG FCD gd_17
3449 FCB FCG FOG FHG gd_12
3450 FCB FCG FCD FCE gd_17
3451 FCG FCD FOD FHD gd_12
3452 FCG FCD FCE FOZ gd_17
3453 FCD FCE FOZ FPH gd_14
3454 FCE FOZ FPH FOH gd_11
3455 FCE FOZ FPH FOH gd_9
3456 FOZ FPH FOH FHH gd_11
3457 FOZ FPH FOH FHH gd_9
3458 [ FMNS ]
3459 [ atoms ]
3460 FC9A C 0.200 0
3461 FN10 NR -0.200 0
3462 FC10A C 0.360 1
3463 FN1 NR -0.360 1
3464 FC2 C 0.380 2
3465 FO2 O -0.380 2
3466 FN3 NR -0.280 3
3467 FH3 H 0.280 3
3468 FC4 C 0.380 4
3469 FO4 O -0.380 4
3470 FC4A C 0.000 5
3471 FN5 NR -0.280 6
3472 FH5 H 0.280 6
3473 FC5A C 0.000 7
3474 FC6 CR1 0.000 8
3475 FC7 C 0.000 9
3476 FCM7 CH3 0.000 9
3477 FC8 C 0.000 10
3478 FCM8 CH3 0.000 10
3479 FC9 CR1 0.000 11
3480 FCA CH2 0.000 12
3481 FCB CH1 0.150 13
3482 FOB OA -0.548 13
3483 FHB H 0.398 13
3484 FCG CH1 0.150 14
3485 FOG OA -0.548 14
3486 FHG H 0.398 14
3487 FCD CH1 0.150 15
3488 FOD OA -0.548 15
3489 FHD H 0.398 15
3490 FCE CH2 0.150 16
3491 FOZ OA -0.360 16
3492 FPH P 1.080 16
3493 FOH OA -0.548 16
3494 FHH H 0.398 16
3495 FOT1 OM -0.360 16
3496 FOT2 OM -0.360 16
3497 [ bonds ]
3498 FC9A FN10 gb_16
3499 FC9A FC5A gb_15
3500 FC9A FC9 gb_15
3501 FN10 FC10A gb_16
3502 FN10 FCA gb_22
3503 FC10A FN1 gb_11
3504 FC10A FC4A gb_15
3505 FN1 FC2 gb_11
3506 FC2 FO2 gb_4
3507 FC2 FN3 gb_16
3508 FN3 FH3 gb_2
3509 FN3 FC4 gb_16
3510 FC4 FO4 gb_4
3511 FC4 FC4A gb_15
3512 FC4A FN5 gb_16
3513 FN5 FH5 gb_2
3514 FN5 FC5A gb_16
3515 FC5A FC6 gb_15
3516 FC6 FC7 gb_15
3517 FC7 FCM7 gb_26
3518 FC7 FC8 gb_15
3519 FC8 FCM8 gb_26
3520 FC8 FC9 gb_15
3521 FCA FCB gb_26
3522 FCB FOB gb_17
3523 FCB FCG gb_26
3524 FOB FHB gb_1
3525 FCG FOG gb_17
3526 FCG FCD gb_26
3527 FOG FHG gb_1
3528 FCD FOD gb_17
3529 FCD FCE gb_26
3530 FOD FHD gb_1
3531 FCE FOZ gb_17
3532 FOZ FPH gb_27
3533 FPH FOH gb_27
3534 FPH FOT1 gb_23
3535 FPH FOT2 gb_23
3536 FOH FHH gb_1
3537 [ angles ]
3538 ; ai aj ak gromos type
3539 FN10 FC9A FC5A ga_26
3540 FN10 FC9A FC9 ga_26
3541 FC5A FC9A FC9 ga_26
3542 FC9A FN10 FC10A ga_26
3543 FC9A FN10 FCA ga_26
3544 FC10A FN10 FCA ga_26
3545 FN10 FC10A FN1 ga_26
3546 FN10 FC10A FC4A ga_26
3547 FN1 FC10A FC4A ga_26
3548 FC10A FN1 FC2 ga_26
3549 FN1 FC2 FO2 ga_26
3550 FN1 FC2 FN3 ga_26
3551 FO2 FC2 FN3 ga_26
3552 FC2 FN3 FH3 ga_24
3553 FC2 FN3 FC4 ga_26
3554 FH3 FN3 FC4 ga_24
3555 FN3 FC4 FO4 ga_26
3556 FN3 FC4 FC4A ga_26
3557 FO4 FC4 FC4A ga_26
3558 FC10A FC4A FC4 ga_26
3559 FC10A FC4A FN5 ga_26
3560 FC4 FC4A FN5 ga_26
3561 FC4A FN5 FH5 ga_24
3562 FC4A FN5 FC5A ga_26
3563 FH5 FN5 FC5A ga_24
3564 FC9A FC5A FN5 ga_26
3565 FC9A FC5A FC6 ga_26
3566 FN5 FC5A FC6 ga_26
3567 FC5A FC6 FC7 ga_26
3568 FC6 FC7 FCM7 ga_26
3569 FC6 FC7 FC8 ga_26
3570 FCM7 FC7 FC8 ga_26
3571 FC7 FC8 FCM8 ga_26
3572 FC7 FC8 FC9 ga_26
3573 FCM8 FC8 FC9 ga_26
3574 FC9A FC9 FC8 ga_26
3575 FN10 FCA FCB ga_14
3576 FCA FCB FOB ga_14
3577 FCA FCB FCG ga_14
3578 FOB FCB FCG ga_12
3579 FCB FOB FHB ga_11
3580 FCB FCG FOG ga_12
3581 FCB FCG FCD ga_14
3582 FOG FCG FCD ga_12
3583 FCG FOG FHG ga_11
3584 FCG FCD FOD ga_12
3585 FCG FCD FCE ga_14
3586 FOD FCD FCE ga_14
3587 FCD FOD FHD ga_11
3588 FCD FCE FOZ ga_14
3589 FCE FOZ FPH ga_25
3590 FOZ FPH FOH ga_4
3591 FOZ FPH FOT1 ga_13
3592 FOZ FPH FOT2 ga_13
3593 FOH FPH FOT1 ga_13
3594 FOH FPH FOT2 ga_13
3595 FOT1 FPH FOT2 ga_28
3596 FPH FOH FHH ga_11
3597 [ impropers ]
3598 ; ai aj ak al gromos type
3599 FC2 FN1 FN3 FO2 gi_1
3600 FN3 FC2 FC4 FH3 gi_1
3601 FC4 FN3 FC4A FO4 gi_1
3602 FN1 FC2 FN3 FC4 gi_1
3603 FC2 FN3 FC4 FC4A gi_1
3604 FN3 FC4 FC4A FC10A gi_1
3605 FC4 FC4A FC10A FN1 gi_1
3606 FC4A FC10A FN1 FC2 gi_1
3607 FC10A FN1 FC2 FN3 gi_1
3608 FC4A FC4 FN5 FC10A gi_1
3609 FC10A FN1 FN10 FC4A gi_1
3610 FN10 FC10A FC4A FN5 gi_1
3611 FN10 FC9A FC5A FN5 gi_1
3612 FC5A FN5 FC6 FC9A gi_1
3613 FC9A FN10 FC9 FC5A gi_1
3614 FC5A FC6 FC7 FC8 gi_1
3615 FC6 FC7 FC8 FC9 gi_1
3616 FC7 FC8 FC9 FC9A gi_1
3617 FC8 FC9 FC9A FC5A gi_1
3618 FC9 FC9A FC5A FC6 gi_1
3619 FC9A FC5A FC6 FC7 gi_1
3620 FC7 FC6 FC8 FCM7 gi_1
3621 FC8 FC7 FC9 FCM8 gi_1
3622 FCB FOB FCG FCA gi_2
3623 FCG FOG FCD FCB gi_2
3624 FCD FOD FCE FCG gi_2
3625 [ dihedrals ]
3626 ; ai aj ak al gromos type
3627 FC10A FC4A FN5 FC5A gd_4
3628 FC4A FN5 FC5A FC9A gd_4
3629 FC5A FC9A FN10 FC10A gd_4
3630 FC9A FN10 FC10A FC4A gd_4
3631 FC9A FN10 FCA FCB gd_20
3632 FN10 FCA FCB FCG gd_17
3633 FCA FCB FOB FHB gd_12
3634 FCA FCB FCG FCD gd_17
3635 FCB FCG FOG FHG gd_12
3636 FCB FCG FCD FCE gd_17
3637 FCG FCD FOD FHD gd_12
3638 FCG FCD FCE FOZ gd_17
3639 FCD FCE FOZ FPH gd_14
3640 FCE FOZ FPH FOH gd_11
3641 FCE FOZ FPH FOH gd_9
3642 FOZ FPH FOH FHH gd_11
3643 FOZ FPH FOH FHH gd_9
3644 [ FMNR ]
3645 [ atoms ]
3646 FC9A C 0.100 0
3647 FN10 NR -0.200 0
3648 FC10A C 0.100 0
3649 FN1 NR -0.280 1
3650 FH1 H 0.280 1
3651 FC2 C 0.380 2
3652 FO2 O -0.380 2
3653 FN3 NR -0.280 3
3654 FH3 H 0.280 3
3655 FC4 C 0.380 4
3656 FO4 O -0.380 4
3657 FC4A C 0.000 5
3658 FN5 NR -0.280 6
3659 FH5 H 0.280 6
3660 FC5A C 0.000 7
3661 FC6 CR1 0.000 8
3662 FC7 C 0.000 9
3663 FCM7 CH3 0.000 9
3664 FC8 C 0.000 10
3665 FCM8 CH3 0.000 10
3666 FC9 CR1 0.000 11
3667 FCA CH2 0.000 12
3668 FCB CH1 0.150 13
3669 FOB OA -0.548 13
3670 FHB H 0.398 13
3671 FCG CH1 0.150 14
3672 FOG OA -0.548 14
3673 FHG H 0.398 14
3674 FCD CH1 0.150 15
3675 FOD OA -0.548 15
3676 FHD H 0.398 15
3677 FCE CH2 0.150 16
3678 FOZ OA -0.360 16
3679 FPH P 1.080 16
3680 FOH OA -0.548 16
3681 FHH H 0.398 16
3682 FOT1 OM -0.360 16
3683 FOT2 OM -0.360 16
3684 [ bonds ]
3685 FC9A FN10 gb_16
3686 FC9A FC5A gb_15
3687 FC9A FC9 gb_15
3688 FN10 FC10A gb_16
3689 FN10 FCA gb_22
3690 FC10A FN1 gb_16
3691 FC10A FC4A gb_15
3692 FN1 FH1 gb_2
3693 FN1 FC2 gb_16
3694 FC2 FO2 gb_14
3695 FC2 FN3 gb_16
3696 FN3 FH3 gb_2
3697 FN3 FC4 gb_16
3698 FC4 FO4 gb_4
3699 FC4 FC4A gb_15
3700 FC4A FN5 gb_16
3701 FN5 FH5 gb_2
3702 FN5 FC5A gb_16
3703 FC5A FC6 gb_15
3704 FC6 FC7 gb_15
3705 FC7 FCM7 gb_26
3706 FC7 FC8 gb_15
3707 FC8 FCM8 gb_26
3708 FC8 FC9 gb_15
3709 FCA FCB gb_26
3710 FCB FOB gb_17
3711 FCB FCG gb_26
3712 FOB FHB gb_1
3713 FCG FOG gb_17
3714 FCG FCD gb_26
3715 FOG FHG gb_1
3716 FCD FOD gb_17
3717 FCD FCE gb_26
3718 FOD FHD gb_1
3719 FCE FOZ gb_17
3720 FOZ FPH gb_27
3721 FPH FOH gb_27
3722 FPH FOT1 gb_23
3723 FPH FOT2 gb_23
3724 FOH FHH gb_1
3725 [ angles ]
3726 ; ai aj ak gromos type
3727 FN10 FC9A FC5A ga_26
3728 FN10 FC9A FC9 ga_26
3729 FC5A FC9A FC9 ga_26
3730 FC9A FN10 FC10A ga_26
3731 FC9A FN10 FCA ga_26
3732 FC10A FN10 FCA ga_26
3733 FN10 FC10A FN1 ga_26
3734 FN10 FC10A FC4A ga_26
3735 FN1 FC10A FC4A ga_26
3736 FC10A FN1 FH1 ga_24
3737 FC10A FN1 FC2 ga_26
3738 FH1 FN1 FC2 ga_24
3739 FN1 FC2 FO2 ga_26
3740 FN1 FC2 FN3 ga_26
3741 FO2 FC2 FN3 ga_26
3742 FC2 FN3 FH3 ga_24
3743 FC2 FN3 FC4 ga_26
3744 FH3 FN3 FC4 ga_24
3745 FN3 FC4 FO4 ga_26
3746 FN3 FC4 FC4A ga_26
3747 FO4 FC4 FC4A ga_26
3748 FC10A FC4A FC4 ga_26
3749 FC10A FC4A FN5 ga_26
3750 FC4 FC4A FN5 ga_26
3751 FC4A FN5 FH5 ga_24
3752 FC4A FN5 FC5A ga_26
3753 FH5 FN5 FC5A ga_24
3754 FC9A FC5A FN5 ga_26
3755 FC9A FC5A FC6 ga_26
3756 FN5 FC5A FC6 ga_26
3757 FC5A FC6 FC7 ga_26
3758 FC6 FC7 FCM7 ga_26
3759 FC6 FC7 FC8 ga_26
3760 FCM7 FC7 FC8 ga_26
3761 FC7 FC8 FCM8 ga_26
3762 FC7 FC8 FC9 ga_26
3763 FCM8 FC8 FC9 ga_26
3764 FC9A FC9 FC8 ga_26
3765 FN10 FCA FCB ga_14
3766 FCA FCB FOB ga_14
3767 FCA FCB FCG ga_14
3768 FOB FCB FCG ga_12
3769 FCB FOB FHB ga_11
3770 FCB FCG FOG ga_12
3771 FCB FCG FCD ga_14
3772 FOG FCG FCD ga_12
3773 FCG FOG FHG ga_11
3774 FCG FCD FOD ga_12
3775 FCG FCD FCE ga_14
3776 FOD FCD FCE ga_14
3777 FCD FOD FHD ga_11
3778 FCD FCE FOZ ga_14
3779 FCE FOZ FPH ga_25
3780 FOZ FPH FOH ga_4
3781 FOZ FPH FOT1 ga_13
3782 FOZ FPH FOT2 ga_13
3783 FOH FPH FOT1 ga_13
3784 FOH FPH FOT2 ga_13
3785 FOT1 FPH FOT2 ga_28
3786 FPH FOH FHH ga_11
3787 [ impropers ]
3788 ; ai aj ak al gromos type
3789 FN1 FC10A FC2 FH1 gi_1
3790 FC2 FN1 FN3 FO2 gi_1
3791 FN3 FC2 FC4 FH3 gi_1
3792 FC4 FN3 FC4A FO4 gi_1
3793 FN1 FC2 FN3 FC4 gi_1
3794 FC2 FN3 FC4 FC4A gi_1
3795 FN3 FC4 FC4A FC10A gi_1
3796 FC4 FC4A FC10A FN1 gi_1
3797 FC4A FC10A FN1 FC2 gi_1
3798 FC10A FN1 FC2 FN3 gi_1
3799 FC4A FC4 FN5 FC10A gi_1
3800 FC10A FN1 FN10 FC4A gi_1
3801 FN10 FC10A FC4A FN5 gi_1
3802 FN10 FC9A FC5A FN5 gi_1
3803 FC5A FN5 FC6 FC9A gi_1
3804 FC9A FN10 FC9 FC5A gi_1
3805 FC5A FC6 FC7 FC8 gi_1
3806 FC6 FC7 FC8 FC9 gi_1
3807 FC7 FC8 FC9 FC9A gi_1
3808 FC8 FC9 FC9A FC5A gi_1
3809 FC9 FC9A FC5A FC6 gi_1
3810 FC9A FC5A FC6 FC7 gi_1
3811 FC7 FC6 FC8 FCM7 gi_1
3812 FC8 FC7 FC9 FCM8 gi_1
3813 FCB FOB FCG FCA gi_2
3814 FCG FOG FCD FCB gi_2
3815 FCD FOD FCE FCG gi_2
3816 [ dihedrals ]
3817 ; ai aj ak al gromos type
3818 FC10A FC4A FN5 FC5A gd_4
3819 FC4A FN5 FC5A FC9A gd_4
3820 FC5A FC9A FN10 FC10A gd_4
3821 FC9A FN10 FC10A FC4A gd_4
3822 FC9A FN10 FCA FCB gd_20
3823 FN10 FCA FCB FCG gd_17
3824 FCA FCB FOB FHB gd_12
3825 FCA FCB FCG FCD gd_17
3826 FCB FCG FOG FHG gd_12
3827 FCB FCG FCD FCE gd_17
3828 FCG FCD FOD FHD gd_12
3829 FCG FCD FCE FOZ gd_17
3830 FCD FCE FOZ FPH gd_14
3831 FCE FOZ FPH FOH gd_11
3832 FCE FOZ FPH FOH gd_9
3833 FOZ FPH FOH FHH gd_11
3834 FOZ FPH FOH FHH gd_9
3835 [ PFN ]
3836 [ atoms ]
3837 FC9A C 0.000 0
3838 FC10 CR1 0.000 0
3839 FC10A C 0.000 0
3840 FC1 CR1 0.000 1
3841 FC2 CR1 0.000 1
3842 FC3 C 0.000 2
3843 FN3 NT -0.830 3
3844 FH31 H 0.415 3
3845 FH32 H 0.415 3
3846 FC4 CR1 0.000 4
3847 FC4A C 0.000 5
3848 FN5 NR -0.360 5
3849 FH5 H 0.360 5
3850 FC5A C 0.000 5
3851 FC6 CR1 0.000 6
3852 FC7 C 0.000 7
3853 FN7 NT -0.830 8
3854 FH71 H 0.415 8
3855 FH72 H 0.415 8
3856 FC8 CR1 0.000 9
3857 FC9 CR1 0.000 9
3858 [ bonds ]
3859 FC9A FC10 gb_15
3860 FC9A FC5A gb_15
3861 FC9A FC9 gb_15
3862 FC10 FC10A gb_15
3863 FC10A FC1 gb_15
3864 FC10A FC4A gb_15
3865 FC1 FC2 gb_15
3866 FC2 FC3 gb_15
3867 FC3 FN3 gb_8
3868 FC3 FC4 gb_15
3869 FN3 FH31 gb_2
3870 FN3 FH32 gb_2
3871 FC4 FC4A gb_15
3872 FC4A FN5 gb_16
3873 FN5 FH5 gb_2
3874 FN5 FC5A gb_16
3875 FC5A FC6 gb_15
3876 FC6 FC7 gb_15
3877 FC7 FN7 gb_8
3878 FC7 FC8 gb_15
3879 FN7 FH71 gb_2
3880 FN7 FH72 gb_2
3881 FC8 FC9 gb_15
3882 [ angles ]
3883 ; ai aj ak gromos type
3884 FC10 FC9A FC5A ga_26
3885 FC10 FC9A FC9 ga_26
3886 FC5A FC9A FC9 ga_26
3887 FC9A FC10 FC10A ga_26
3888 FC10 FC10A FC1 ga_26
3889 FC10 FC10A FC4A ga_26
3890 FC1 FC10A FC4A ga_26
3891 FC10A FC1 FC2 ga_26
3892 FC1 FC2 FC3 ga_26
3893 FC2 FC3 FN3 ga_26
3894 FC2 FC3 FC4 ga_26
3895 FN3 FC3 FC4 ga_26
3896 FC3 FN3 FH31 ga_22
3897 FC3 FN3 FH32 ga_22
3898 FH31 FN3 FH32 ga_23
3899 FC3 FC4 FC4A ga_26
3900 FC10A FC4A FC4 ga_26
3901 FC10A FC4A FN5 ga_26
3902 FC4 FC4A FN5 ga_26
3903 FC4A FN5 FH5 ga_24
3904 FC4A FN5 FC5A ga_26
3905 FH5 FN5 FC5A ga_24
3906 FC9A FC5A FN5 ga_26
3907 FC9A FC5A FC6 ga_26
3908 FN5 FC5A FC6 ga_26
3909 FC5A FC6 FC7 ga_26
3910 FC6 FC7 FN7 ga_26
3911 FC6 FC7 FC8 ga_26
3912 FN7 FC7 FC8 ga_26
3913 FC7 FN7 FH71 ga_22
3914 FC7 FN7 FH72 ga_22
3915 FH71 FN7 FH72 ga_23
3916 FC7 FC8 FC9 ga_26
3917 FC8 FC9 FC9A ga_26
3918 [ impropers ]
3919 ; ai aj ak al gromos type
3920 FC9A FC10 FC10A FC4A gi_1
3921 FC10 FC10A FC4A FN5 gi_1
3922 FC10A FC4A FN5 FC5A gi_1
3923 FC4A FN5 FC5A FC9A gi_1
3924 FN5 FC5A FC9A FC10 gi_1
3925 FC5A FC9A FC10 FC10A gi_1
3926 FN5 FC4A FC5A FH5 gi_1
3927 FC10A FC1 FC10 FC4A gi_1
3928 FC4A FC4 FN5 FC10A gi_1
3929 FC4A FC10A FC1 FC2 gi_1
3930 FC10A FC1 FC2 FC3 gi_1
3931 FC1 FC2 FC3 FC4 gi_1
3932 FC2 FC3 FC4 FC4A gi_1
3933 FC3 FC4 FC4A FC10A gi_1
3934 FC4 FC4A FC10A FC1 gi_1
3935 FC3 FC2 FC4 FN3 gi_1
3936 FN3 FH31 FH32 FC3 gi_1
3937 FC5A FN5 FC6 FC9A gi_1
3938 FC9A FC10 FC9 FC5A gi_1
3939 FC5A FC6 FC7 FC8 gi_1
3940 FC6 FC7 FC8 FC9 gi_1
3941 FC7 FC8 FC9 FC9A gi_1
3942 FC8 FC9 FC9A FC5A gi_1
3943 FC9 FC9A FC5A FC6 gi_1
3944 FC9A FC5A FC6 FC7 gi_1
3945 FC7 FC8 FC6 FN7 gi_1
3946 FN7 FH71 FH72 FC7 gi_1
3947 [ dihedrals ]
3948 ; ai aj ak al gromos type
3949 FC2 FC3 FN3 FH31 gd_4
3950 FC8 FC7 FN7 FH71 gd_4
3951 [ NADP ]
3952 [ atoms ]
3953 AP P 1.210 0
3954 AO1P OM -0.360 0
3955 AO2P OM -0.360 0
3956 AO5* OA -0.360 0
3957 O3P OA -0.260 1
3958 NP P 1.210 1
3959 NO1P OM -0.360 1
3960 NO2P OM -0.360 1
3961 NO5* OA -0.360 1
3962 AC5* CH2 0.000 2
3963 AC4* CH1 0.160 3
3964 AO4* OA -0.360 3
3965 AC1* CH1 0.200 3
3966 AN9 NR -0.200 4
3967 AC4 C 0.200 4
3968 AN3 NR -0.360 5
3969 AC2 CR1 0.360 5
3970 AN1 NR -0.360 6
3971 AC6 C 0.360 6
3972 AN6 NT -0.830 7
3973 AH61 H 0.415 7
3974 AH62 H 0.415 7
3975 AC5 C 0.000 8
3976 AN7 NR -0.360 8
3977 AC8 CR1 0.360 8
3978 AC2* CH1 0.150 9
3979 AO2* OA -0.548 9
3980 AH2* H 0.398 9
3981 AC3* CH1 0.150 10
3982 AO3* OA -0.548 10
3983 AH3* H 0.398 10
3984 NC5* CH2 0.000 11
3985 NC4* CH1 0.160 12
3986 NO4* OA -0.360 12
3987 NC1* CH1 0.200 12
3988 NN1 NR -0.100 13
3989 NC6 CR1 0.100 13
3990 NC2 CR1 0.050 13
3991 NC3 C 0.000 13
3992 NC4 CR1 0.050 13
3993 NC5 CR1 -0.100 13
3994 NC7 C 0.380 14
3995 NO7 O -0.380 14
3996 NN7 NT -0.830 15
3997 NH71 H 0.415 15
3998 NH72 H 0.415 15
3999 NC2* CH1 0.150 16
4000 NO2* OA -0.548 16
4001 NH2* H 0.398 16
4002 NC3* CH1 0.150 17
4003 NO3* OA -0.548 17
4004 NH3* H 0.398 17
4005 [ bonds ]
4006 AP AO1P gb_23
4007 AP AO2P gb_23
4008 AP AO5* gb_27
4009 AP O3P gb_27
4010 AO5* AC5* gb_19
4011 O3P NP gb_27
4012 NP NO1P gb_23
4013 NP NO2P gb_23
4014 NP NO5* gb_27
4015 NO5* NC5* gb_19
4016 AC5* AC4* gb_25
4017 AC4* AO4* gb_19
4018 AC4* AC3* gb_25
4019 AO4* AC1* gb_19
4020 AC1* AN9 gb_21
4021 AC1* AC2* gb_25
4022 AN9 AC4 gb_9
4023 AN9 AC8 gb_9
4024 AC4 AN3 gb_11
4025 AC4 AC5 gb_15
4026 AN3 AC2 gb_6
4027 AC2 AN1 gb_6
4028 AN1 AC6 gb_11
4029 AC6 AN6 gb_8
4030 AC6 AC5 gb_15
4031 AN6 AH61 gb_2
4032 AN6 AH62 gb_2
4033 AC5 AN7 gb_9
4034 AN7 AC8 gb_9
4035 AC2* AO2* gb_19
4036 AC2* AC3* gb_25
4037 AO2* AH2* gb_1
4038 AC3* AO3* gb_19
4039 AO3* AH3* gb_1
4040 NC5* NC4* gb_25
4041 NC4* NO4* gb_19
4042 NC4* NC3* gb_25
4043 NO4* NC1* gb_19
4044 NC1* NN1 gb_22
4045 NC1* NC2* gb_25
4046 NN1 NC6 gb_16
4047 NN1 NC2 gb_16
4048 NC6 NC5 gb_15
4049 NC2 NC3 gb_15
4050 NC3 NC4 gb_15
4051 NC3 NC7 gb_26
4052 NC4 NC5 gb_15
4053 NC7 NO7 gb_4
4054 NC7 NN7 gb_8
4055 NN7 NH71 gb_2
4056 NN7 NH72 gb_2
4057 NC2* NO2* gb_19
4058 NC2* NC3* gb_25
4059 NO2* NH2* gb_1
4060 NC3* NO3* gb_19
4061 NO3* NH3* gb_1
4062 [ angles ]
4063 ; ai aj ak gromos type
4064 AO1P AP AO2P ga_28
4065 AO1P AP AO5* ga_13
4066 AO1P AP O3P ga_13
4067 AO2P AP AO5* ga_13
4068 AO2P AP O3P ga_13
4069 AO5* AP O3P ga_4
4070 AP AO5* AC5* ga_25
4071 AP O3P NP ga_25
4072 O3P NP NO1P ga_13
4073 O3P NP NO2P ga_13
4074 O3P NP NO5* ga_4
4075 NO1P NP NO2P ga_28
4076 NO1P NP NO5* ga_13
4077 NO2P NP NO5* ga_13
4078 NP NO5* NC5* ga_25
4079 AO5* AC5* AC4* ga_8
4080 AC5* AC4* AO4* ga_8
4081 AC5* AC4* AC3* ga_7
4082 AO4* AC4* AC3* ga_8
4083 AC4* AO4* AC1* ga_9
4084 AO4* AC1* AN9 ga_8
4085 AO4* AC1* AC2* ga_8
4086 AN9 AC1* AC2* ga_8
4087 AC1* AN9 AC4 ga_36
4088 AC1* AN9 AC8 ga_36
4089 AC4 AN9 AC8 ga_6
4090 AN9 AC4 AN3 ga_38
4091 AN9 AC4 AC5 ga_6
4092 AN3 AC4 AC5 ga_26
4093 AC4 AN3 AC2 ga_26
4094 AN3 AC2 AN1 ga_26
4095 AC2 AN1 AC6 ga_26
4096 AN1 AC6 AN6 ga_26
4097 AN1 AC6 AC5 ga_26
4098 AN6 AC6 AC5 ga_26
4099 AC6 AN6 AH61 ga_22
4100 AC6 AN6 AH62 ga_22
4101 AH61 AN6 AH62 ga_23
4102 AC4 AC5 AC6 ga_26
4103 AC4 AC5 AN7 ga_6
4104 AC6 AC5 AN7 ga_38
4105 AC5 AN7 AC8 ga_6
4106 AN9 AC8 AN7 ga_6
4107 AC1* AC2* AO2* ga_8
4108 AC1* AC2* AC3* ga_7
4109 AO2* AC2* AC3* ga_8
4110 AC2* AO2* AH2* ga_11
4111 AC4* AC3* AC2* ga_7
4112 AC4* AC3* AO3* ga_8
4113 AC2* AC3* AO3* ga_8
4114 AC3* AO3* AH3* ga_11
4115 NO5* NC5* NC4* ga_8
4116 NC5* NC4* NO4* ga_8
4117 NC5* NC4* NC3* ga_7
4118 NO4* NC4* NC3* ga_8
4119 NC4* NO4* NC1* ga_9
4120 NO4* NC1* NN1 ga_8
4121 NO4* NC1* NC2* ga_8
4122 NN1 NC1* NC2* ga_7
4123 NC1* NN1 NC6 ga_26
4124 NC1* NN1 NC2 ga_26
4125 NC6 NN1 NC2 ga_26
4126 NN1 NC6 NC5 ga_26
4127 NN1 NC2 NC3 ga_26
4128 NC2 NC3 NC4 ga_26
4129 NC2 NC3 NC7 ga_26
4130 NC4 NC3 NC7 ga_26
4131 NC3 NC4 NC5 ga_26
4132 NC6 NC5 NC4 ga_26
4133 NC3 NC7 NO7 ga_29
4134 NC3 NC7 NN7 ga_18
4135 NO7 NC7 NN7 ga_32
4136 NC7 NN7 NH71 ga_22
4137 NC7 NN7 NH72 ga_22
4138 NH71 NN7 NH72 ga_23
4139 NC1* NC2* NO2* ga_8
4140 NC1* NC2* NC3* ga_7
4141 NO2* NC2* NC3* ga_8
4142 NC2* NO2* NH2* ga_11
4143 NC4* NC3* NC2* ga_7
4144 NC4* NC3* NO3* ga_8
4145 NC2* NC3* NO3* ga_8
4146 NC3* NO3* NH3* ga_11
4147 [ impropers ]
4148 ; ai aj ak al gromos type
4149 AC4* AO4* AC5* AC3* gi_2
4150 AC3* AC2* AO3* AC4* gi_2
4151 AC2* AO2* AC3* AC1* gi_2
4152 AC1* AN9 AO4* AC2* gi_2
4153 AN9 AC8 AC4 AC1* gi_1
4154 AC4 AN9 AC8 AN7 gi_1
4155 AC8 AN9 AC4 AC5 gi_1
4156 AN9 AC8 AN7 AC5 gi_1
4157 AN9 AC4 AC5 AN7 gi_1
4158 AC8 AN7 AC5 AC4 gi_1
4159 AC4 AN9 AN3 AC5 gi_1
4160 AC5 AC6 AN7 AC4 gi_1
4161 AN3 AC4 AC5 AC6 gi_1
4162 AC4 AC5 AC6 AN1 gi_1
4163 AC5 AC4 AN3 AC2 gi_1
4164 AC5 AC6 AN1 AC2 gi_1
4165 AC4 AN3 AC2 AN1 gi_1
4166 AN3 AC2 AN1 AC6 gi_1
4167 AC6 AC5 AN1 AN6 gi_1
4168 AN6 AH61 AH62 AC6 gi_1
4169 NC4* NO4* NC5* NC3* gi_2
4170 NC3* NC2* NO3* NC4* gi_2
4171 NC2* NO2* NC3* NC1* gi_2
4172 NC1* NN1 NO4* NC2* gi_2
4173 NN1 NC6 NC2 NC1* gi_1
4174 NC2 NN1 NC6 NC5 gi_1
4175 NC6 NN1 NC2 NC3 gi_1
4176 NN1 NC6 NC5 NC4 gi_1
4177 NN1 NC2 NC3 NC4 gi_1
4178 NC6 NC5 NC4 NC3 gi_1
4179 NC2 NC3 NC4 NC5 gi_1
4180 NC3 NC4 NC2 NC7 gi_1
4181 NC7 NO7 NN7 NC3 gi_1
4182 NN7 NH71 NH72 NC7 gi_1
4183 [ dihedrals ]
4184 ; ai aj ak al gromos type
4185 AO5* AP O3P NP gd_11
4186 AO5* AP O3P NP gd_9
4187 O3P AP AO5* AC5* gd_11
4188 O3P AP AO5* AC5* gd_9
4189 AP AO5* AC5* AC4* gd_14
4190 AO5* AC5* AC4* AC3* gd_17
4191 AO5* AC5* AC4* AC3* gd_7
4192 AO5* AC5* AC4* AO4* gd_8
4193 AC5* AC4* AC3* AC2* gd_17
4194 AC5* AC4* AC3* AO3* gd_7
4195 AO4* AC4* AC3* AC2* gd_7
4196 AO4* AC4* AC3* AO3* gd_8
4197 AC4* AC3* AC2* AC1* gd_17
4198 AO3* AC3* AC2* AC1* gd_7
4199 AC4* AC3* AC2* AO2* gd_7
4200 AO3* AC3* AC2* AO2* gd_8
4201 AC3* AC2* AC1* AO4* gd_17
4202 AC3* AC2* AC1* AO4* gd_7
4203 AO2* AC2* AC1* AN9 gd_7
4204 AO2* AC2* AC1* AO4* gd_8
4205 AC3* AC4* AO4* AC1* gd_14
4206 AC4* AO4* AC1* AC2* gd_14
4207 AC1* AC2* AO2* AH2* gd_12
4208 AC4* AC3* AO3* AH3* gd_12
4209 AO4* AC1* AN9 AC4 gd_6
4210 AC5 AC6 AN6 AH61 gd_4
4211 AP O3P NP NO5* gd_11
4212 AP O3P NP NO5* gd_9
4213 O3P NP NO5* NC5* gd_11
4214 O3P NP NO5* NC5* gd_9
4215 NP NO5* NC5* NC4* gd_14
4216 NO5* NC5* NC4* NC3* gd_17
4217 NO5* NC5* NC4* NC3* gd_7
4218 NO5* NC5* NC4* NO4* gd_8
4219 NC5* NC4* NC3* NC2* gd_17
4220 NC5* NC4* NC3* NO3* gd_7
4221 NO4* NC4* NC3* NC2* gd_7
4222 NO4* NC4* NC3* NO3* gd_8
4223 NC4* NC3* NC2* NC1* gd_17
4224 NO3* NC3* NC2* NC1* gd_7
4225 NC4* NC3* NC2* NO2* gd_7
4226 NO3* NC3* NC2* NO2* gd_8
4227 NC3* NC2* NC1* NO4* gd_17
4228 NC3* NC2* NC1* NO4* gd_7
4229 NO2* NC2* NC1* NN1 gd_7
4230 NO2* NC2* NC1* NO4* gd_8
4231 NC3* NC4* NO4* NC1* gd_14
4232 NC4* NO4* NC1* NC2* gd_14
4233 NC1* NC2* NO2* NH2* gd_12
4234 NC4* NC3* NO3* NH3* gd_12
4235 NO4* NC1* NN1 NC2 gd_6
4236 NC2 NC3 NC7 NN7 gd_1
4237 NC3 NC7 NN7 NH71 gd_4
4238 [ NADH ]
4239 [ atoms ]
4240 AP P 1.210 0
4241 AO1P OM -0.360 0
4242 AO2P OM -0.360 0
4243 AO5* OA -0.360 0
4244 O3P OA -0.260 1
4245 NP P 1.210 1
4246 NO1P OM -0.360 1
4247 NO2P OM -0.360 1
4248 NO5* OA -0.360 1
4249 AC5* CH2 0.000 2
4250 AC4* CH1 0.160 3
4251 AO4* OA -0.360 3
4252 AC1* CH1 0.200 3
4253 AN9 NR -0.200 4
4254 AC4 C 0.200 4
4255 AN3 NR -0.360 5
4256 AC2 CR1 0.360 5
4257 AN1 NR -0.360 6
4258 AC6 C 0.360 6
4259 AN6 NT -0.830 7
4260 AH61 H 0.415 7
4261 AH62 H 0.415 7
4262 AC5 C 0.000 8
4263 AN7 NR -0.360 8
4264 AC8 CR1 0.360 8
4265 AC2* CH1 0.150 9
4266 AO2* OA -0.548 9
4267 AH2* H 0.398 9
4268 AC3* CH1 0.150 10
4269 AO3* OA -0.548 10
4270 AH3* H 0.398 10
4271 NC5* CH2 0.000 11
4272 NC4* CH1 0.160 12
4273 NO4* OA -0.360 12
4274 NC1* CH1 0.200 12
4275 NN1 NR -0.200 13
4276 NC6 CR1 0.200 13
4277 NC2 CR1 0.000 13
4278 NC3 C 0.000 13
4279 NC4 CH2 0.000 13
4280 NC5 CR1 0.000 13
4281 NC7 C 0.380 14
4282 NO7 O -0.380 14
4283 NN7 NT -0.830 15
4284 NH71 H 0.415 15
4285 NH72 H 0.415 15
4286 NC2* CH1 0.150 16
4287 NO2* OA -0.548 16
4288 NH2* H 0.398 16
4289 NC3* CH1 0.150 17
4290 NO3* OA -0.548 17
4291 NH3* H 0.398 17
4292 [ bonds ]
4293 AP AO1P gb_23
4294 AP AO2P gb_23
4295 AP AO5* gb_27
4296 AP O3P gb_27
4297 AO5* AC5* gb_19
4298 O3P NP gb_27
4299 NP NO1P gb_23
4300 NP NO2P gb_23
4301 NP NO5* gb_27
4302 NO5* NC5* gb_19
4303 AC5* AC4* gb_25
4304 AC4* AO4* gb_19
4305 AC4* AC3* gb_25
4306 AO4* AC1* gb_19
4307 AC1* AN9 gb_21
4308 AC1* AC2* gb_25
4309 AN9 AC4 gb_9
4310 AN9 AC8 gb_9
4311 AC4 AN3 gb_11
4312 AC4 AC5 gb_15
4313 AN3 AC2 gb_6
4314 AC2 AN1 gb_6
4315 AN1 AC6 gb_11
4316 AC6 AN6 gb_8
4317 AC6 AC5 gb_15
4318 AN6 AH61 gb_2
4319 AN6 AH62 gb_2
4320 AC5 AN7 gb_9
4321 AN7 AC8 gb_9
4322 AC2* AO2* gb_19
4323 AC2* AC3* gb_25
4324 AO2* AH2* gb_1
4325 AC3* AO3* gb_19
4326 AO3* AH3* gb_1
4327 NC5* NC4* gb_25
4328 NC4* NO4* gb_19
4329 NC4* NC3* gb_25
4330 NO4* NC1* gb_19
4331 NC1* NN1 gb_22
4332 NC1* NC2* gb_25
4333 NN1 NC6 gb_16
4334 NN1 NC2 gb_16
4335 NC6 NC5 gb_15
4336 NC2 NC3 gb_15
4337 NC3 NC4 gb_14
4338 NC3 NC7 gb_26
4339 NC4 NC5 gb_14
4340 NC7 NO7 gb_4
4341 NC7 NN7 gb_8
4342 NN7 NH71 gb_2
4343 NN7 NH72 gb_2
4344 NC2* NO2* gb_19
4345 NC2* NC3* gb_25
4346 NO2* NH2* gb_1
4347 NC3* NO3* gb_19
4348 NO3* NH3* gb_1
4349 [ angles ]
4350 ; ai aj ak gromos type
4351 AO1P AP AO2P ga_28
4352 AO1P AP AO5* ga_13
4353 AO1P AP O3P ga_13
4354 AO2P AP AO5* ga_13
4355 AO2P AP O3P ga_13
4356 AO5* AP O3P ga_4
4357 AP AO5* AC5* ga_25
4358 AP O3P NP ga_25
4359 O3P NP NO1P ga_13
4360 O3P NP NO2P ga_13
4361 O3P NP NO5* ga_4
4362 NO1P NP NO2P ga_28
4363 NO1P NP NO5* ga_13
4364 NO2P NP NO5* ga_13
4365 NP NO5* NC5* ga_25
4366 AO5* AC5* AC4* ga_8
4367 AC5* AC4* AO4* ga_8
4368 AC5* AC4* AC3* ga_7
4369 AO4* AC4* AC3* ga_8
4370 AC4* AO4* AC1* ga_9
4371 AO4* AC1* AN9 ga_8
4372 AO4* AC1* AC2* ga_8
4373 AN9 AC1* AC2* ga_8
4374 AC1* AN9 AC4 ga_36
4375 AC1* AN9 AC8 ga_36
4376 AC4 AN9 AC8 ga_6
4377 AN9 AC4 AN3 ga_38
4378 AN9 AC4 AC5 ga_6
4379 AN3 AC4 AC5 ga_26
4380 AC4 AN3 AC2 ga_26
4381 AN3 AC2 AN1 ga_26
4382 AC2 AN1 AC6 ga_26
4383 AN1 AC6 AN6 ga_26
4384 AN1 AC6 AC5 ga_26
4385 AN6 AC6 AC5 ga_26
4386 AC6 AN6 AH61 ga_22
4387 AC6 AN6 AH62 ga_22
4388 AH61 AN6 AH62 ga_23
4389 AC4 AC5 AC6 ga_26
4390 AC4 AC5 AN7 ga_6
4391 AC6 AC5 AN7 ga_38
4392 AC5 AN7 AC8 ga_6
4393 AN9 AC8 AN7 ga_6
4394 AC1* AC2* AO2* ga_8
4395 AC1* AC2* AC3* ga_7
4396 AO2* AC2* AC3* ga_8
4397 AC2* AO2* AH2* ga_11
4398 AC4* AC3* AC2* ga_7
4399 AC4* AC3* AO3* ga_8
4400 AC2* AC3* AO3* ga_8
4401 AC3* AO3* AH3* ga_11
4402 NO5* NC5* NC4* ga_8
4403 NC5* NC4* NO4* ga_8
4404 NC5* NC4* NC3* ga_7
4405 NO4* NC4* NC3* ga_8
4406 NC4* NO4* NC1* ga_9
4407 NO4* NC1* NN1 ga_8
4408 NO4* NC1* NC2* ga_8
4409 NN1 NC1* NC2* ga_7
4410 NC1* NN1 NC6 ga_26
4411 NC1* NN1 NC2 ga_26
4412 NC6 NN1 NC2 ga_26
4413 NN1 NC6 NC5 ga_26
4414 NN1 NC2 NC3 ga_26
4415 NC2 NC3 NC4 ga_26
4416 NC2 NC3 NC7 ga_26
4417 NC4 NC3 NC7 ga_26
4418 NC3 NC4 NC5 ga_26
4419 NC6 NC5 NC4 ga_26
4420 NC3 NC7 NO7 ga_29
4421 NC3 NC7 NN7 ga_18
4422 NO7 NC7 NN7 ga_32
4423 NC7 NN7 NH71 ga_22
4424 NC7 NN7 NH72 ga_22
4425 NH71 NN7 NH72 ga_23
4426 NC1* NC2* NO2* ga_8
4427 NC1* NC2* NC3* ga_7
4428 NO2* NC2* NC3* ga_8
4429 NC2* NO2* NH2* ga_11
4430 NC4* NC3* NC2* ga_7
4431 NC4* NC3* NO3* ga_8
4432 NC2* NC3* NO3* ga_8
4433 NC3* NO3* NH3* ga_11
4434 [ impropers ]
4435 ; ai aj ak al gromos type
4436 AC4* AO4* AC5* AC3* gi_2
4437 AC3* AC2* AO3* AC4* gi_2
4438 AC2* AO2* AC3* AC1* gi_2
4439 AC1* AN9 AO4* AC2* gi_2
4440 AN9 AC8 AC4 AC1* gi_1
4441 AC4 AN9 AC8 AN7 gi_1
4442 AC8 AN9 AC4 AC5 gi_1
4443 AN9 AC8 AN7 AC5 gi_1
4444 AN9 AC4 AC5 AN7 gi_1
4445 AC8 AN7 AC5 AC4 gi_1
4446 AC4 AN9 AN3 AC5 gi_1
4447 AC5 AC6 AN7 AC4 gi_1
4448 AN3 AC4 AC5 AC6 gi_1
4449 AC4 AC5 AC6 AN1 gi_1
4450 AC5 AC4 AN3 AC2 gi_1
4451 AC5 AC6 AN1 AC2 gi_1
4452 AC4 AN3 AC2 AN1 gi_1
4453 AN3 AC2 AN1 AC6 gi_1
4454 AC6 AC5 AN1 AN6 gi_1
4455 AN6 AH61 AH62 AC6 gi_1
4456 NC4* NO4* NC5* NC3* gi_1
4457 NC3* NC2* NO3* NC4* gi_1
4458 NC2* NO2* NC3* NC1* gi_1
4459 NC1* NN1 NO4* NC2* gi_1
4460 NN1 NC6 NC2 NC1* gi_1
4461 NC2 NN1 NC6 NC5 gi_1
4462 NC6 NN1 NC2 NC3 gi_1
4463 NN1 NC6 NC5 NC4 gi_1
4464 NN1 NC2 NC3 NC4 gi_1
4465 NC6 NC5 NC4 NC3 gi_1
4466 NC2 NC3 NC4 NC5 gi_1
4467 NC3 NC4 NC2 NC7 gi_1
4468 NC7 NO7 NN7 NC3 gi_1
4469 NN7 NH71 NH72 NC7 gi_1
4470 [ dihedrals ]
4471 ; ai aj ak al gromos type
4472 AO5* AP O3P NP gd_11
4473 AO5* AP O3P NP gd_9
4474 O3P AP AO5* AC5* gd_11
4475 O3P AP AO5* AC5* gd_9
4476 AP AO5* AC5* AC4* gd_14
4477 AO5* AC5* AC4* AC3* gd_17
4478 AO5* AC5* AC4* AC3* gd_7
4479 AO5* AC5* AC4* AO4* gd_8
4480 AC5* AC4* AC3* AC2* gd_17
4481 AC5* AC4* AC3* AO3* gd_7
4482 AO4* AC4* AC3* AC2* gd_7
4483 AO4* AC4* AC3* AO3* gd_8
4484 AC4* AC3* AC2* AC1* gd_17
4485 AO3* AC3* AC2* AC1* gd_7
4486 AC4* AC3* AC2* AO2* gd_7
4487 AO3* AC3* AC2* AO2* gd_8
4488 AC3* AC2* AC1* AO4* gd_17
4489 AC3* AC2* AC1* AO4* gd_7
4490 AO2* AC2* AC1* AN9 gd_7
4491 AO2* AC2* AC1* AO4* gd_8
4492 AC3* AC4* AO4* AC1* gd_14
4493 AC4* AO4* AC1* AC2* gd_14
4494 AC1* AC2* AO2* AH2* gd_12
4495 AC4* AC3* AO3* AH3* gd_12
4496 AO4* AC1* AN9 AC4 gd_6
4497 AC5 AC6 AN6 AH61 gd_4
4498 AP O3P NP NO5* gd_11
4499 AP O3P NP NO5* gd_9
4500 O3P NP NO5* NC5* gd_11
4501 O3P NP NO5* NC5* gd_9
4502 NP NO5* NC5* NC4* gd_14
4503 NO5* NC5* NC4* NC3* gd_17
4504 NO5* NC5* NC4* NC3* gd_7
4505 NO5* NC5* NC4* NO4* gd_8
4506 NC5* NC4* NC3* NC2* gd_17
4507 NC5* NC4* NC3* NO3* gd_7
4508 NO4* NC4* NC3* NC2* gd_7
4509 NO4* NC4* NC3* NO3* gd_8
4510 NC4* NC3* NC2* NC1* gd_17
4511 NO3* NC3* NC2* NC1* gd_7
4512 NC4* NC3* NC2* NO2* gd_7
4513 NO3* NC3* NC2* NO2* gd_8
4514 NC3* NC2* NC1* NO4* gd_17
4515 NC3* NC2* NC1* NO4* gd_7
4516 NO2* NC2* NC1* NN1 gd_7
4517 NO2* NC2* NC1* NO4* gd_8
4518 NC3* NC4* NO4* NC1* gd_14
4519 NC4* NO4* NC1* NC2* gd_14
4520 NC1* NC2* NO2* NH2* gd_12
4521 NC4* NC3* NO3* NH3* gd_12
4522 NO4* NC1* NN1 NC2 gd_6
4523 NC2 NC3 NC7 NN7 gd_1
4524 NC3 NC7 NN7 NH71 gd_4
4525 [ NDPH ]
4526 [ atoms ]
4527 AP P 1.210 0
4528 AO1P OM -0.360 0
4529 AO2P OM -0.360 0
4530 AO5* OA -0.360 0
4531 O3P OA -0.260 1
4532 NP P 1.210 1
4533 NO1P OM -0.360 1
4534 NO2P OM -0.360 1
4535 NO5* OA -0.360 1
4536 AC5* CH2 0.000 2
4537 AC4* CH1 0.160 3
4538 AO4* OA -0.360 3
4539 AC1* CH1 0.200 3
4540 AN9 NR -0.200 4
4541 AC4 C 0.200 4
4542 AN3 NR -0.360 5
4543 AC2 CR1 0.360 5
4544 AN1 NR -0.360 6
4545 AC6 C 0.360 6
4546 AN6 NT -0.830 7
4547 AH61 H 0.415 7
4548 AH62 H 0.415 7
4549 AC5 C 0.000 8
4550 AN7 NR -0.360 8
4551 AC8 CR1 0.360 8
4552 AC2* CH1 0.150 9
4553 AO2* OA -0.360 9
4554 AP2* P 1.080 9
4555 AO6* OM -0.360 9
4556 AO7* OM -0.360 9
4557 AO8* OA -0.548 9
4558 AH8* H 0.398 9
4559 AC3* CH1 0.150 10
4560 AO3* OA -0.548 10
4561 AH3* H 0.398 10
4562 NC5* CH2 0.000 11
4563 NC4* CH1 0.160 12
4564 NO4* OA -0.360 12
4565 NC1* CH1 0.200 12
4566 NN1 NR -0.200 13
4567 NC6 CR1 0.200 13
4568 NC2 CR1 0.000 13
4569 NC3 C 0.000 13
4570 NC4 CH2 0.000 13
4571 NC5 CR1 0.000 13
4572 NC7 C 0.380 14
4573 NO7 O -0.380 14
4574 NN7 NT -0.830 15
4575 NH71 H 0.415 15
4576 NH72 H 0.415 15
4577 NC2* CH1 0.150 16
4578 NO2* OA -0.548 16
4579 NH2* H 0.398 16
4580 NC3* CH1 0.150 17
4581 NO3* OA -0.548 17
4582 NH3* H 0.398 17
4583 [ bonds ]
4584 AP AO1P gb_23
4585 AP AO2P gb_23
4586 AP AO5* gb_27
4587 AP O3P gb_27
4588 AO5* AC5* gb_19
4589 O3P NP gb_27
4590 NP NO1P gb_23
4591 NP NO2P gb_23
4592 NP NO5* gb_27
4593 NO5* NC5* gb_19
4594 AC5* AC4* gb_25
4595 AC4* AO4* gb_19
4596 AC4* AC3* gb_25
4597 AO4* AC1* gb_19
4598 AC1* AN9 gb_21
4599 AC1* AC2* gb_25
4600 AN9 AC4 gb_9
4601 AN9 AC8 gb_9
4602 AC4 AN3 gb_11
4603 AC4 AC5 gb_15
4604 AN3 AC2 gb_6
4605 AC2 AN1 gb_6
4606 AN1 AC6 gb_11
4607 AC6 AN6 gb_8
4608 AC6 AC5 gb_15
4609 AN6 AH61 gb_2
4610 AN6 AH62 gb_2
4611 AC5 AN7 gb_9
4612 AN7 AC8 gb_9
4613 AC2* AO2* gb_19
4614 AC2* AC3* gb_25
4615 AO2* AP2* gb_27
4616 AP2* AO6* gb_23
4617 AP2* AO7* gb_23
4618 AP2* AO8* gb_27
4619 AO8* AH8* gb_1
4620 AC3* AO3* gb_19
4621 AO3* AH3* gb_1
4622 NC5* NC4* gb_25
4623 NC4* NO4* gb_19
4624 NC4* NC3* gb_25
4625 NO4* NC1* gb_19
4626 NC1* NN1 gb_22
4627 NC1* NC2* gb_25
4628 NN1 NC6 gb_16
4629 NN1 NC2 gb_16
4630 NC6 NC5 gb_15
4631 NC2 NC3 gb_15
4632 NC3 NC4 gb_14
4633 NC3 NC7 gb_26
4634 NC4 NC5 gb_14
4635 NC7 NO7 gb_4
4636 NC7 NN7 gb_8
4637 NN7 NH71 gb_2
4638 NN7 NH72 gb_2
4639 NC2* NO2* gb_19
4640 NC2* NC3* gb_25
4641 NO2* NH2* gb_1
4642 NC3* NO3* gb_19
4643 NO3* NH3* gb_1
4644 [ angles ]
4645 ; ai aj ak gromos type
4646 AO1P AP AO2P ga_28
4647 AO1P AP AO5* ga_13
4648 AO1P AP O3P ga_13
4649 AO2P AP AO5* ga_13
4650 AO2P AP O3P ga_13
4651 AO5* AP O3P ga_4
4652 AP AO5* AC5* ga_25
4653 AP O3P NP ga_25
4654 O3P NP NO1P ga_13
4655 O3P NP NO2P ga_13
4656 O3P NP NO5* ga_4
4657 NO1P NP NO2P ga_28
4658 NO1P NP NO5* ga_13
4659 NO2P NP NO5* ga_13
4660 NP NO5* NC5* ga_25
4661 AO5* AC5* AC4* ga_8
4662 AC5* AC4* AO4* ga_8
4663 AC5* AC4* AC3* ga_7
4664 AO4* AC4* AC3* ga_8
4665 AC4* AO4* AC1* ga_9
4666 AO4* AC1* AN9 ga_8
4667 AO4* AC1* AC2* ga_8
4668 AN9 AC1* AC2* ga_8
4669 AC1* AN9 AC4 ga_36
4670 AC1* AN9 AC8 ga_36
4671 AC4 AN9 AC8 ga_6
4672 AN9 AC4 AN3 ga_38
4673 AN9 AC4 AC5 ga_6
4674 AN3 AC4 AC5 ga_26
4675 AC4 AN3 AC2 ga_26
4676 AN3 AC2 AN1 ga_26
4677 AC2 AN1 AC6 ga_26
4678 AN1 AC6 AN6 ga_26
4679 AN1 AC6 AC5 ga_26
4680 AN6 AC6 AC5 ga_26
4681 AC6 AN6 AH61 ga_22
4682 AC6 AN6 AH62 ga_22
4683 AH61 AN6 AH62 ga_23
4684 AC4 AC5 AC6 ga_26
4685 AC4 AC5 AN7 ga_6
4686 AC6 AC5 AN7 ga_38
4687 AC5 AN7 AC8 ga_6
4688 AN9 AC8 AN7 ga_6
4689 AC1* AC2* AO2* ga_8
4690 AC1* AC2* AC3* ga_7
4691 AO2* AC2* AC3* ga_8
4692 AC2* AO2* AP2* ga_25
4693 AO2* AP2* AO6* ga_13
4694 AO2* AP2* AO7* ga_13
4695 AO2* AP2* AO8* ga_4
4696 AO6* AP2* AO7* ga_28
4697 AO6* AP2* AO8* ga_13
4698 AO7* AP2* AO8* ga_13
4699 AP2* AO8* AH8* ga_11
4700 AC4* AC3* AC2* ga_7
4701 AC4* AC3* AO3* ga_8
4702 AC2* AC3* AO3* ga_8
4703 AC3* AO3* AH3* ga_11
4704 NO5* NC5* NC4* ga_8
4705 NC5* NC4* NO4* ga_8
4706 NC5* NC4* NC3* ga_7
4707 NO4* NC4* NC3* ga_8
4708 NC4* NO4* NC1* ga_9
4709 NO4* NC1* NN1 ga_8
4710 NO4* NC1* NC2* ga_8
4711 NN1 NC1* NC2* ga_7
4712 NC1* NN1 NC6 ga_26
4713 NC1* NN1 NC2 ga_26
4714 NC6 NN1 NC2 ga_26
4715 NN1 NC6 NC5 ga_26
4716 NN1 NC2 NC3 ga_26
4717 NC2 NC3 NC4 ga_26
4718 NC2 NC3 NC7 ga_26
4719 NC4 NC3 NC7 ga_26
4720 NC3 NC4 NC5 ga_26
4721 NC6 NC5 NC4 ga_26
4722 NC3 NC7 NO7 ga_29
4723 NC3 NC7 NN7 ga_18
4724 NO7 NC7 NN7 ga_32
4725 NC7 NN7 NH71 ga_22
4726 NC7 NN7 NH72 ga_22
4727 NH71 NN7 NH72 ga_23
4728 NC1* NC2* NO2* ga_8
4729 NC1* NC2* NC3* ga_7
4730 NO2* NC2* NC3* ga_8
4731 NC2* NO2* NH2* ga_11
4732 NC4* NC3* NC2* ga_7
4733 NC4* NC3* NO3* ga_8
4734 NC2* NC3* NO3* ga_8
4735 NC3* NO3* NH3* ga_11
4736 [ impropers ]
4737 ; ai aj ak al gromos type
4738 AC4* AO4* AC5* AC3* gi_2
4739 AC3* AC2* AO3* AC4* gi_2
4740 AC2* AO2* AC3* AC1* gi_2
4741 AC1* AN9 AO4* AC2* gi_2
4742 AN9 AC8 AC4 AC1* gi_1
4743 AC4 AN9 AC8 AN7 gi_1
4744 AC8 AN9 AC4 AC5 gi_1
4745 AN9 AC8 AN7 AC5 gi_1
4746 AN9 AC4 AC5 AN7 gi_1
4747 AC8 AN7 AC5 AC4 gi_1
4748 AC4 AN9 AN3 AC5 gi_1
4749 AC5 AC6 AN7 AC4 gi_1
4750 AN3 AC4 AC5 AC6 gi_1
4751 AC4 AC5 AC6 AN1 gi_1
4752 AC5 AC4 AN3 AC2 gi_1
4753 AC5 AC6 AN1 AC2 gi_1
4754 AC4 AN3 AC2 AN1 gi_1
4755 AN3 AC2 AN1 AC6 gi_1
4756 AC6 AC5 AN1 AN6 gi_1
4757 AN6 AH61 AH62 AC6 gi_1
4758 NC4* NO4* NC5* NC3* gi_2
4759 NC3* NC2* NO3* NC4* gi_2
4760 NC2* NO2* NC3* NC1* gi_2
4761 NC1* NN1 NO4* NC2* gi_2
4762 NN1 NC6 NC2 NC1* gi_1
4763 NC2 NN1 NC6 NC5 gi_1
4764 NC6 NN1 NC2 NC3 gi_1
4765 NN1 NC6 NC5 NC4 gi_1
4766 NN1 NC2 NC3 NC4 gi_1
4767 NC6 NC5 NC4 NC3 gi_1
4768 NC2 NC3 NC4 NC5 gi_1
4769 NC3 NC4 NC2 NC7 gi_1
4770 NC7 NO7 NN7 NC3 gi_1
4771 NN7 NH71 NH72 NC7 gi_1
4772 [ dihedrals ]
4773 ; ai aj ak al gromos type
4774 AO5* AP O3P NP gd_11
4775 AO5* AP O3P NP gd_9
4776 O3P AP AO5* AC5* gd_11
4777 O3P AP AO5* AC5* gd_9
4778 AP AO5* AC5* AC4* gd_14
4779 AO5* AC5* AC4* AC3* gd_17
4780 AO5* AC5* AC4* AC3* gd_7
4781 AO5* AC5* AC4* AO4* gd_8
4782 AC5* AC4* AC3* AC2* gd_17
4783 AC5* AC4* AC3* AO3* gd_7
4784 AO4* AC4* AC3* AC2* gd_7
4785 AO4* AC4* AC3* AO3* gd_8
4786 AC4* AC3* AC2* AC1* gd_17
4787 AO3* AC3* AC2* AC1* gd_7
4788 AC4* AC3* AC2* AO2* gd_7
4789 AO3* AC3* AC2* AO2* gd_8
4790 AC3* AC2* AC1* AO4* gd_17
4791 AC3* AC2* AC1* AO4* gd_7
4792 AO2* AC2* AC1* AN9 gd_7
4793 AO2* AC2* AC1* AO4* gd_8
4794 AC3* AC4* AO4* AC1* gd_14
4795 AC4* AO4* AC1* AC2* gd_14
4796 AC1* AC2* AO2* AP2* gd_12
4797 AC2* AO2* AP2* AO8* gd_11
4798 AC2* AO2* AP2* AO8* gd_9
4799 AO2* AP2* AO8* AH8* gd_11
4800 AO2* AP2* AO8* AH8* gd_9
4801 AC4* AC3* AO3* AH3* gd_12
4802 AO4* AC1* AN9 AC4 gd_6
4803 AC5 AC6 AN6 AH61 gd_4
4804 AP O3P NP NO5* gd_11
4805 AP O3P NP NO5* gd_9
4806 O3P NP NO5* NC5* gd_11
4807 O3P NP NO5* NC5* gd_9
4808 NP NO5* NC5* NC4* gd_14
4809 NO5* NC5* NC4* NC3* gd_17
4810 NO5* NC5* NC4* NC3* gd_7
4811 NO5* NC5* NC4* NO4* gd_8
4812 NC5* NC4* NC3* NC2* gd_17
4813 NC5* NC4* NC3* NO3* gd_7
4814 NO4* NC4* NC3* NC2* gd_7
4815 NO4* NC4* NC3* NO3* gd_8
4816 NC4* NC3* NC2* NC1* gd_17
4817 NO3* NC3* NC2* NC1* gd_7
4818 NC4* NC3* NC2* NO2* gd_7
4819 NO3* NC3* NC2* NO2* gd_8
4820 NC3* NC2* NC1* NO4* gd_17
4821 NC3* NC2* NC1* NO4* gd_7
4822 NO2* NC2* NC1* NN1 gd_7
4823 NO2* NC2* NC1* NO4* gd_8
4824 NC3* NC4* NO4* NC1* gd_14
4825 NC4* NO4* NC1* NC2* gd_14
4826 NC1* NC2* NO2* NH2* gd_12
4827 NC4* NC3* NO3* NH3* gd_12
4828 NO4* NC1* NN1 NC2 gd_6
4829 NC2 NC3 NC7 NN7 gd_1
4830 NC3 NC7 NN7 NH71 gd_4
4831 [ NDPP ]
4832 [ atoms ]
4833 AP P 1.210 0
4834 AO1P OM -0.360 0
4835 AO2P OM -0.360 0
4836 AO5* OA -0.360 0
4837 O3P OA -0.260 1
4838 NP P 1.210 1
4839 NO1P OM -0.360 1
4840 NO2P OM -0.360 1
4841 NO5* OA -0.360 1
4842 AC5* CH2 0.000 2
4843 AC4* CH1 0.160 3
4844 AO4* OA -0.360 3
4845 AC1* CH1 0.200 3
4846 AN9 NR -0.200 4
4847 AC4 C 0.200 4
4848 AN3 NR -0.360 5
4849 AC2 CR1 0.360 5
4850 AN1 NR -0.360 6
4851 AC6 C 0.360 6
4852 AN6 NT -0.830 7
4853 AH61 H 0.415 7
4854 AH62 H 0.415 7
4855 AC5 C 0.000 8
4856 AN7 NR -0.360 8
4857 AC8 CR1 0.360 8
4858 AC2* CH1 0.150 9
4859 AO2* OA -0.360 9
4860 AP2* P 1.080 9
4861 AO6* OM -0.360 9
4862 AO7* OM -0.360 9
4863 AO8* OA -0.548 9
4864 AH8* H 0.398 9
4865 AC3* CH1 0.150 10
4866 AO3* OA -0.548 10
4867 AH3* H 0.398 10
4868 NC5* CH2 0.000 11
4869 NC4* CH1 0.160 12
4870 NO4* OA -0.360 12
4871 NC1* CH1 0.200 12
4872 NN1 NR -0.100 13
4873 NC6 CR1 0.100 13
4874 NC2 CR1 0.050 13
4875 NC3 C 0.000 13
4876 NC4 CR1 0.050 13
4877 NC5 CR1 -0.100 13
4878 NC7 C 0.380 14
4879 NO7 O -0.380 14
4880 NN7 NT -0.830 15
4881 NH71 H 0.415 15
4882 NH72 H 0.415 15
4883 NC2* CH1 0.150 16
4884 NO2* OA -0.548 16
4885 NH2* H 0.398 16
4886 NC3* CH1 0.150 17
4887 NO3* OA -0.548 17
4888 NH3* H 0.398 17
4889 [ bonds ]
4890 AP AO1P gb_23
4891 AP AO2P gb_23
4892 AP AO5* gb_27
4893 AP O3P gb_27
4894 AO5* AC5* gb_19
4895 O3P NP gb_27
4896 NP NO1P gb_23
4897 NP NO2P gb_23
4898 NP NO5* gb_27
4899 NO5* NC5* gb_19
4900 AC5* AC4* gb_25
4901 AC4* AO4* gb_19
4902 AC4* AC3* gb_25
4903 AO4* AC1* gb_19
4904 AC1* AN9 gb_21
4905 AC1* AC2* gb_25
4906 AN9 AC4 gb_9
4907 AN9 AC8 gb_9
4908 AC4 AN3 gb_11
4909 AC4 AC5 gb_15
4910 AN3 AC2 gb_6
4911 AC2 AN1 gb_6
4912 AN1 AC6 gb_11
4913 AC6 AN6 gb_8
4914 AC6 AC5 gb_15
4915 AN6 AH61 gb_2
4916 AN6 AH62 gb_2
4917 AC5 AN7 gb_9
4918 AN7 AC8 gb_9
4919 AC2* AO2* gb_19
4920 AC2* AC3* gb_25
4921 AO2* AP2* gb_27
4922 AP2* AO6* gb_23
4923 AP2* AO7* gb_23
4924 AP2* AO8* gb_27
4925 AO8* AH8* gb_1
4926 AC3* AO3* gb_19
4927 AO3* AH3* gb_1
4928 NC5* NC4* gb_25
4929 NC4* NO4* gb_19
4930 NC4* NC3* gb_25
4931 NO4* NC1* gb_19
4932 NC1* NN1 gb_22
4933 NC1* NC2* gb_25
4934 NN1 NC6 gb_16
4935 NN1 NC2 gb_16
4936 NC6 NC5 gb_15
4937 NC2 NC3 gb_15
4938 NC3 NC4 gb_15
4939 NC3 NC7 gb_26
4940 NC4 NC5 gb_15
4941 NC7 NO7 gb_4
4942 NC7 NN7 gb_8
4943 NN7 NH71 gb_2
4944 NN7 NH72 gb_2
4945 NC2* NO2* gb_19
4946 NC2* NC3* gb_25
4947 NO2* NH2* gb_1
4948 NC3* NO3* gb_19
4949 NO3* NH3* gb_1
4950 [ angles ]
4951 ; ai aj ak gromos type
4952 AO1P AP AO2P ga_28
4953 AO1P AP AO5* ga_13
4954 AO1P AP O3P ga_13
4955 AO2P AP AO5* ga_13
4956 AO2P AP O3P ga_13
4957 AO5* AP O3P ga_4
4958 AP AO5* AC5* ga_25
4959 AP O3P NP ga_25
4960 O3P NP NO1P ga_13
4961 O3P NP NO2P ga_13
4962 O3P NP NO5* ga_4
4963 NO1P NP NO2P ga_28
4964 NO1P NP NO5* ga_13
4965 NO2P NP NO5* ga_13
4966 NP NO5* NC5* ga_25
4967 AO5* AC5* AC4* ga_8
4968 AC5* AC4* AO4* ga_8
4969 AC5* AC4* AC3* ga_7
4970 AO4* AC4* AC3* ga_8
4971 AC4* AO4* AC1* ga_9
4972 AO4* AC1* AN9 ga_8
4973 AO4* AC1* AC2* ga_8
4974 AN9 AC1* AC2* ga_8
4975 AC1* AN9 AC4 ga_36
4976 AC1* AN9 AC8 ga_36
4977 AC4 AN9 AC8 ga_6
4978 AN9 AC4 AN3 ga_38
4979 AN9 AC4 AC5 ga_6
4980 AN3 AC4 AC5 ga_26
4981 AC4 AN3 AC2 ga_26
4982 AN3 AC2 AN1 ga_26
4983 AC2 AN1 AC6 ga_26
4984 AN1 AC6 AN6 ga_26
4985 AN1 AC6 AC5 ga_26
4986 AN6 AC6 AC5 ga_26
4987 AC6 AN6 AH61 ga_22
4988 AC6 AN6 AH62 ga_22
4989 AH61 AN6 AH62 ga_23
4990 AC4 AC5 AC6 ga_26
4991 AC4 AC5 AN7 ga_6
4992 AC6 AC5 AN7 ga_38
4993 AC5 AN7 AC8 ga_6
4994 AN9 AC8 AN7 ga_6
4995 AC1* AC2* AO2* ga_8
4996 AC1* AC2* AC3* ga_7
4997 AO2* AC2* AC3* ga_8
4998 AC2* AO2* AP2* ga_25
4999 AO2* AP2* AO6* ga_13
5000 AO2* AP2* AO7* ga_13
5001 AO2* AP2* AO8* ga_4
5002 AO6* AP2* AO7* ga_28
5003 AO6* AP2* AO8* ga_13
5004 AO7* AP2* AO8* ga_13
5005 AP2* AO8* AH8* ga_11
5006 AC4* AC3* AC2* ga_7
5007 AC4* AC3* AO3* ga_8
5008 AC2* AC3* AO3* ga_8
5009 AC3* AO3* AH3* ga_11
5010 NO5* NC5* NC4* ga_8
5011 NC5* NC4* NO4* ga_8
5012 NC5* NC4* NC3* ga_7
5013 NO4* NC4* NC3* ga_8
5014 NC4* NO4* NC1* ga_9
5015 NO4* NC1* NN1 ga_8
5016 NO4* NC1* NC2* ga_8
5017 NN1 NC1* NC2* ga_7
5018 NC1* NN1 NC6 ga_26
5019 NC1* NN1 NC2 ga_26
5020 NC6 NN1 NC2 ga_26
5021 NN1 NC6 NC5 ga_26
5022 NN1 NC2 NC3 ga_26
5023 NC2 NC3 NC4 ga_26
5024 NC2 NC3 NC7 ga_26
5025 NC4 NC3 NC7 ga_26
5026 NC3 NC4 NC5 ga_26
5027 NC6 NC5 NC4 ga_26
5028 NC3 NC7 NO7 ga_29
5029 NC3 NC7 NN7 ga_18
5030 NO7 NC7 NN7 ga_32
5031 NC7 NN7 NH71 ga_22
5032 NC7 NN7 NH72 ga_22
5033 NH71 NN7 NH72 ga_23
5034 NC1* NC2* NO2* ga_8
5035 NC1* NC2* NC3* ga_7
5036 NO2* NC2* NC3* ga_8
5037 NC2* NO2* NH2* ga_11
5038 NC4* NC3* NC2* ga_7
5039 NC4* NC3* NO3* ga_8
5040 NC2* NC3* NO3* ga_8
5041 NC3* NO3* NH3* ga_11
5042 [ impropers ]
5043 ; ai aj ak al gromos type
5044 AC4* AO4* AC5* AC3* gi_2
5045 AC3* AC2* AO3* AC4* gi_2
5046 AC2* AO2* AC3* AC1* gi_2
5047 AC1* AN9 AO4* AC2* gi_2
5048 AN9 AC8 AC4 AC1* gi_1
5049 AC4 AN9 AC8 AN7 gi_1
5050 AC8 AN9 AC4 AC5 gi_1
5051 AN9 AC8 AN7 AC5 gi_1
5052 AN9 AC4 AC5 AN7 gi_1
5053 AC8 AN7 AC5 AC4 gi_1
5054 AC4 AN9 AN3 AC5 gi_1
5055 AC5 AC6 AN7 AC4 gi_1
5056 AN3 AC4 AC5 AC6 gi_1
5057 AC4 AC5 AC6 AN1 gi_1
5058 AC5 AC4 AN3 AC2 gi_1
5059 AC5 AC6 AN1 AC2 gi_1
5060 AC4 AN3 AC2 AN1 gi_1
5061 AN3 AC2 AN1 AC6 gi_1
5062 AC6 AC5 AN1 AN6 gi_1
5063 AN6 AH61 AH62 AC6 gi_1
5064 NC4* NO4* NC5* NC3* gi_2
5065 NC3* NC2* NO3* NC4* gi_2
5066 NC2* NO2* NC3* NC1* gi_2
5067 NC1* NN1 NO4* NC2* gi_2
5068 NN1 NC6 NC2 NC1* gi_1
5069 NC2 NN1 NC6 NC5 gi_1
5070 NC6 NN1 NC2 NC3 gi_1
5071 NN1 NC6 NC5 NC4 gi_1
5072 NN1 NC2 NC3 NC4 gi_1
5073 NC6 NC5 NC4 NC3 gi_1
5074 NC2 NC3 NC4 NC5 gi_1
5075 NC3 NC4 NC2 NC7 gi_1
5076 NC7 NO7 NN7 NC3 gi_1
5077 NN7 NH71 NH72 NC7 gi_1
5078 [ dihedrals ]
5079 ; ai aj ak al gromos type
5080 AO5* AP O3P NP gd_11
5081 AO5* AP O3P NP gd_9
5082 O3P AP AO5* AC5* gd_11
5083 O3P AP AO5* AC5* gd_9
5084 AP AO5* AC5* AC4* gd_14
5085 AO5* AC5* AC4* AC3* gd_17
5086 AO5* AC5* AC4* AC3* gd_7
5087 AO5* AC5* AC4* AO4* gd_8
5088 AC5* AC4* AC3* AC2* gd_17
5089 AC5* AC4* AC3* AO3* gd_7
5090 AO4* AC4* AC3* AC2* gd_7
5091 AO4* AC4* AC3* AO3* gd_8
5092 AC4* AC3* AC2* AC1* gd_17
5093 AO3* AC3* AC2* AC1* gd_7
5094 AC4* AC3* AC2* AO2* gd_7
5095 AO3* AC3* AC2* AO2* gd_8
5096 AC3* AC2* AC1* AO4* gd_17
5097 AC3* AC2* AC1* AO4* gd_7
5098 AO2* AC2* AC1* AN9 gd_7
5099 AO2* AC2* AC1* AO4* gd_8
5100 AC3* AC4* AO4* AC1* gd_14
5101 AC4* AO4* AC1* AC2* gd_14
5102 AC1* AC2* AO2* AP2* gd_12
5103 AC2* AO2* AP2* AO8* gd_11
5104 AC2* AO2* AP2* AO8* gd_9
5105 AO2* AP2* AO8* AH8* gd_11
5106 AO2* AP2* AO8* AH8* gd_9
5107 AC4* AC3* AO3* AH3* gd_12
5108 AO4* AC1* AN9 AC4 gd_6
5109 AC5 AC6 AN6 AH61 gd_4
5110 AP O3P NP NO5* gd_11
5111 AP O3P NP NO5* gd_9
5112 O3P NP NO5* NC5* gd_11
5113 O3P NP NO5* NC5* gd_9
5114 NP NO5* NC5* NC4* gd_14
5115 NO5* NC5* NC4* NC3* gd_17
5116 NO5* NC5* NC4* NC3* gd_7
5117 NO5* NC5* NC4* NO4* gd_8
5118 NC5* NC4* NC3* NC2* gd_17
5119 NC5* NC4* NC3* NO3* gd_7
5120 NO4* NC4* NC3* NC2* gd_7
5121 NO4* NC4* NC3* NO3* gd_8
5122 NC4* NC3* NC2* NC1* gd_17
5123 NO3* NC3* NC2* NC1* gd_7
5124 NC4* NC3* NC2* NO2* gd_7
5125 NO3* NC3* NC2* NO2* gd_8
5126 NC3* NC2* NC1* NO4* gd_17
5127 NC3* NC2* NC1* NO4* gd_7
5128 NO2* NC2* NC1* NN1 gd_7
5129 NO2* NC2* NC1* NO4* gd_8
5130 NC3* NC4* NO4* NC1* gd_14
5131 NC4* NO4* NC1* NC2* gd_14
5132 NC1* NC2* NO2* NH2* gd_12
5133 NC4* NC3* NO3* NH3* gd_12
5134 NO4* NC1* NN1 NC2 gd_6
5135 NC2 NC3 NC7 NN7 gd_1
5136 NC3 NC7 NN7 NH71 gd_4
5137 [ NDPHN ]
5138 [ atoms ]
5139 AP P 1.020 0
5140 AO1P OA -0.548 0
5141 AH1P H 0.398 0
5142 AO2P O -0.380 0
5143 AO5* OA -0.360 0
5144 O3P OA -0.260 1
5145 NP P 1.020 1
5146 NO1P OA -0.548 1
5147 NH1P H 0.398 1
5148 NO2P O -0.380 1
5149 NO5* OA -0.360 1
5150 AC5* CH2 0.000 2
5151 AC4* CH1 0.160 3
5152 AO4* OA -0.360 3
5153 AC1* CH1 0.200 3
5154 AN9 NR -0.200 4
5155 AC4 C 0.200 4
5156 AN3 NR -0.360 5
5157 AC2 CR1 0.360 5
5158 AN1 NR -0.360 6
5159 AC6 C 0.360 6
5160 AN6 NT -0.830 7
5161 AH61 H 0.415 7
5162 AH62 H 0.415 7
5163 AC5 C 0.000 8
5164 AN7 NR -0.360 8
5165 AC8 CR1 0.360 8
5166 AC2* CH1 0.150 9
5167 AO2* OA -0.360 9
5168 AP2* P 0.890 9
5169 AO6* O -0.380 9
5170 AO7* OA -0.548 9
5171 AH7* H 0.398 9
5172 AO8* OA -0.548 9
5173 AH8* H 0.398 9
5174 AC3* CH1 0.150 10
5175 AO3* OA -0.548 10
5176 AH3* H 0.398 10
5177 NC5* CH2 0.000 11
5178 NC4* CH1 0.160 12
5179 NO4* OA -0.360 12
5180 NC1* CH1 0.200 12
5181 NN1 NR -0.200 13
5182 NC6 CR1 0.200 13
5183 NC2 CR1 0.000 13
5184 NC3 C 0.000 13
5185 NC4 CH2 0.000 13
5186 NC5 CR1 0.000 13
5187 NC7 C 0.380 14
5188 NO7 O -0.380 14
5189 NN7 NT -0.830 15
5190 NH71 H 0.415 15
5191 NH72 H 0.415 15
5192 NC2* CH1 0.150 16
5193 NO2* OA -0.548 16
5194 NH2* H 0.398 16
5195 NC3* CH1 0.150 17
5196 NO3* OA -0.548 17
5197 NH3* H 0.398 17
5198 [ bonds ]
5199 AP AO1P gb_27
5200 AO1P AH1P gb_1
5201 AP AO2P gb_23
5202 AP AO5* gb_27
5203 AP O3P gb_27
5204 AO5* AC5* gb_19
5205 O3P NP gb_27
5206 NP NO1P gb_27
5207 NO1P NH1P gb_1
5208 NP NO2P gb_23
5209 NP NO5* gb_27
5210 NO5* NC5* gb_19
5211 AC5* AC4* gb_25
5212 AC4* AO4* gb_19
5213 AC4* AC3* gb_25
5214 AO4* AC1* gb_19
5215 AC1* AN9 gb_21
5216 AC1* AC2* gb_25
5217 AN9 AC4 gb_9
5218 AN9 AC8 gb_9
5219 AC4 AN3 gb_11
5220 AC4 AC5 gb_15
5221 AN3 AC2 gb_6
5222 AC2 AN1 gb_6
5223 AN1 AC6 gb_11
5224 AC6 AN6 gb_8
5225 AC6 AC5 gb_15
5226 AN6 AH61 gb_2
5227 AN6 AH62 gb_2
5228 AC5 AN7 gb_9
5229 AN7 AC8 gb_9
5230 AC2* AO2* gb_19
5231 AC2* AC3* gb_25
5232 AO2* AP2* gb_27
5233 AP2* AO6* gb_23
5234 AP2* AO7* gb_27
5235 AP2* AO8* gb_27
5236 AO7* AH7* gb_1
5237 AO8* AH8* gb_1
5238 AC3* AO3* gb_19
5239 AO3* AH3* gb_1
5240 NC5* NC4* gb_25
5241 NC4* NO4* gb_19
5242 NC4* NC3* gb_25
5243 NO4* NC1* gb_19
5244 NC1* NN1 gb_22
5245 NC1* NC2* gb_25
5246 NN1 NC6 gb_16
5247 NN1 NC2 gb_16
5248 NC6 NC5 gb_15
5249 NC2 NC3 gb_15
5250 NC3 NC4 gb_14
5251 NC3 NC7 gb_26
5252 NC4 NC5 gb_14
5253 NC7 NO7 gb_4
5254 NC7 NN7 gb_8
5255 NN7 NH71 gb_2
5256 NN7 NH72 gb_2
5257 NC2* NO2* gb_19
5258 NC2* NC3* gb_25
5259 NO2* NH2* gb_1
5260 NC3* NO3* gb_19
5261 NO3* NH3* gb_1
5262 [ angles ]
5263 ; ai aj ak gromos type
5264 AP AO1P AH1P ga_11
5265 AO1P AP AO2P ga_13
5266 AO1P AP AO5* ga_13
5267 AO1P AP O3P ga_13
5268 AO2P AP AO5* ga_13
5269 AO2P AP O3P ga_13
5270 AO5* AP O3P ga_13
5271 AP AO5* AC5* ga_25
5272 AP O3P NP ga_25
5273 O3P NP NO1P ga_13
5274 O3P NP NO2P ga_13
5275 O3P NP NO5* ga_13
5276 NO1P NP NO2P ga_13
5277 NO1P NP NO5* ga_13
5278 NO2P NP NO5* ga_13
5279 NP NO1P NH1P ga_11
5280 NP NO5* NC5* ga_25
5281 AO5* AC5* AC4* ga_8
5282 AC5* AC4* AO4* ga_8
5283 AC5* AC4* AC3* ga_7
5284 AO4* AC4* AC3* ga_8
5285 AC4* AO4* AC1* ga_9
5286 AO4* AC1* AN9 ga_8
5287 AO4* AC1* AC2* ga_8
5288 AN9 AC1* AC2* ga_8
5289 AC1* AN9 AC4 ga_36
5290 AC1* AN9 AC8 ga_36
5291 AC4 AN9 AC8 ga_6
5292 AN9 AC4 AN3 ga_38
5293 AN9 AC4 AC5 ga_6
5294 AC5 AC4 AN3 ga_26
5295 AC4 AN3 AC2 ga_26
5296 AN3 AC2 AN1 ga_26
5297 AC2 AN1 AC6 ga_26
5298 AN1 AC6 AN6 ga_26
5299 AN1 AC6 AC5 ga_26
5300 AN6 AC6 AC5 ga_26
5301 AC6 AN6 AH61 ga_22
5302 AC6 AN6 AH62 ga_22
5303 AH61 AN6 AH62 ga_23
5304 AC4 AC5 AC6 ga_26
5305 AC4 AC5 AN7 ga_6
5306 AC6 AC5 AN7 ga_38
5307 AC5 AN7 AC8 ga_6
5308 AN9 AC8 AN7 ga_6
5309 AC1* AC2* AO2* ga_8
5310 AC1* AC2* AC3* ga_7
5311 AO2* AC2* AC3* ga_8
5312 AC2* AO2* AP2* ga_25
5313 AO2* AP2* AO6* ga_13
5314 AO2* AP2* AO7* ga_13
5315 AO2* AP2* AO8* ga_13
5316 AO6* AP2* AO7* ga_13
5317 AO6* AP2* AO8* ga_13
5318 AO7* AP2* AO8* ga_13
5319 AP2* AO7* AH7* ga_11
5320 AP2* AO8* AH8* ga_11
5321 AC4* AC3* AC2* ga_7
5322 AC4* AC3* AO3* ga_8
5323 AC2* AC3* AO3* ga_8
5324 AC3* AO3* AH3* ga_11
5325 NO5* NC5* NC4* ga_8
5326 NC5* NC4* NO4* ga_8
5327 NC5* NC4* NC3* ga_7
5328 NO4* NC4* NC3* ga_8
5329 NC4* NO4* NC1* ga_9
5330 NO4* NC1* NN1 ga_8
5331 NO4* NC1* NC2* ga_8
5332 NN1 NC1* NC2* ga_7
5333 NC1* NN1 NC6 ga_26
5334 NC1* NN1 NC2 ga_26
5335 NC6 NN1 NC2 ga_26
5336 NN1 NC6 NC5 ga_26
5337 NN1 NC2 NC3 ga_26
5338 NC2 NC3 NC4 ga_26
5339 NC2 NC3 NC7 ga_26
5340 NC4 NC3 NC7 ga_26
5341 NC3 NC4 NC5 ga_26
5342 NC6 NC5 NC4 ga_26
5343 NC3 NC7 NO7 ga_29
5344 NC3 NC7 NN7 ga_18
5345 NO7 NC7 NN7 ga_32
5346 NC7 NN7 NH71 ga_22
5347 NC7 NN7 NH72 ga_22
5348 NH71 NN7 NH72 ga_23
5349 NC1* NC2* NO2* ga_8
5350 NC1* NC2* NC3* ga_7
5351 NO2* NC2* NC3* ga_8
5352 NC2* NO2* NH2* ga_11
5353 NC4* NC3* NC2* ga_7
5354 NC4* NC3* NO3* ga_8
5355 NC2* NC3* NO3* ga_8
5356 NC3* NO3* NH3* ga_11
5357 [ impropers ]
5358 ; ai aj ak al gromos type
5359 AC4* AO4* AC5* AC3* gi_2
5360 AC3* AC2* AO3* AC4* gi_2
5361 AC2* AO2* AC3* AC1* gi_2
5362 AC1* AN9 AO4* AC2* gi_2
5363 AN9 AC8 AC4 AC1* gi_1
5364 AC4 AN9 AC8 AN7 gi_1
5365 AC8 AN9 AC4 AC5 gi_1
5366 AN9 AC8 AN7 AC5 gi_1
5367 AN9 AC4 AC5 AN7 gi_1
5368 AC8 AN7 AC5 AC4 gi_1
5369 AC4 AN9 AN3 AC5 gi_1
5370 AC5 AC6 AN7 AC4 gi_1
5371 AN3 AC4 AC5 AC6 gi_1
5372 AC4 AC5 AC6 AN1 gi_1
5373 AC5 AC4 AN3 AC2 gi_1
5374 AC5 AC6 AN1 AC2 gi_1
5375 AC4 AN3 AC2 AN1 gi_1
5376 AN3 AC2 AN1 AC6 gi_1
5377 AC6 AC5 AN1 AN6 gi_1
5378 AN6 AH61 AH62 AC6 gi_1
5379 NC4* NO4* NC5* NC3* gi_2
5380 NC3* NC2* NO3* NC4* gi_2
5381 NC2* NO2* NC3* NC1* gi_2
5382 NC1* NN1 NO4* NC2* gi_2
5383 NN1 NC6 NC2 NC1* gi_1
5384 NC2 NN1 NC6 NC5 gi_1
5385 NC6 NN1 NC2 NC3 gi_1
5386 NN1 NC6 NC5 NC4 gi_1
5387 NN1 NC2 NC3 NC4 gi_1
5388 NC6 NC5 NC4 NC3 gi_1
5389 NC2 NC3 NC4 NC5 gi_1
5390 NC3 NC4 NC2 NC7 gi_1
5391 NC7 NO7 NN7 NC3 gi_1
5392 NN7 NH71 NH72 NC7 gi_1
5393 [ dihedrals ]
5394 ; ai aj ak al gromos type
5395 AO5* AP AO1P AH1P gd_11
5396 AO5* AP AO1P AH1P gd_9
5397 AO5* AP O3P NP gd_11
5398 AO5* AP O3P NP gd_9
5399 O3P AP AO5* AC5* gd_11
5400 O3P AP AO5* AC5* gd_9
5401 AP AO5* AC5* AC4* gd_14
5402 AO5* AC5* AC4* AC3* gd_17
5403 AO5* AC5* AC4* AC3* gd_7
5404 AO5* AC5* AC4* AO4* gd_8
5405 AC5* AC4* AC3* AC2* gd_17
5406 AC5* AC4* AC3* AO3* gd_7
5407 AO4* AC4* AC3* AC2* gd_7
5408 AO4* AC4* AC3* AO3* gd_8
5409 AC4* AC3* AC2* AC1* gd_17
5410 AO3* AC3* AC2* AC1* gd_7
5411 AC4* AC3* AC2* AO2* gd_7
5412 AO3* AC3* AC2* AO2* gd_8
5413 AC3* AC2* AC1* AO4* gd_17
5414 AC3* AC2* AC1* AO4* gd_7
5415 AO2* AC2* AC1* AN9 gd_7
5416 AO2* AC2* AC1* AO4* gd_8
5417 AC3* AC4* AO4* AC1* gd_14
5418 AC4* AO4* AC1* AC2* gd_14
5419 AC1* AC2* AO2* AP2* gd_12
5420 AC2* AO2* AP2* AO8* gd_11
5421 AC2* AO2* AP2* AO8* gd_9
5422 AO2* AP2* AO8* AH8* gd_11
5423 AO2* AP2* AO8* AH8* gd_9
5424 AO2* AP2* AO7* AH7* gd_11
5425 AO2* AP2* AO7* AH7* gd_9
5426 AC4* AC3* AO3* AH3* gd_12
5427 AO4* AC1* AN9 AC4 gd_6
5428 AC5 AC6 AN6 AH61 gd_4
5429 AP O3P NP NO5* gd_11
5430 AP O3P NP NO5* gd_9
5431 O3P NP NO5* NC5* gd_11
5432 O3P NP NO5* NC5* gd_9
5433 NO5* NP NO1P NH1P gd_11
5434 NO5* NP NO1P NH1P gd_9
5435 NP NO5* NC5* NC4* gd_14
5436 NO5* NC5* NC4* NC3* gd_17
5437 NO5* NC5* NC4* NC3* gd_7
5438 NO5* NC5* NC4* NO4* gd_8
5439 NC5* NC4* NC3* NC2* gd_17
5440 NC5* NC4* NC3* NO3* gd_7
5441 NO4* NC4* NC3* NC2* gd_7
5442 NO4* NC4* NC3* NO3* gd_8
5443 NC4* NC3* NC2* NC1* gd_17
5444 NO3* NC3* NC2* NC1* gd_7
5445 NC4* NC3* NC2* NO2* gd_7
5446 NO3* NC3* NC2* NO2* gd_8
5447 NC3* NC2* NC1* NO4* gd_17
5448 NC3* NC2* NC1* NO4* gd_7
5449 NO2* NC2* NC1* NN1 gd_7
5450 NO2* NC2* NC1* NO4* gd_8
5451 NC3* NC4* NO4* NC1* gd_14
5452 NC4* NO4* NC1* NC2* gd_14
5453 NC1* NC2* NO2* NH2* gd_12
5454 NC4* NC3* NO3* NH3* gd_12
5455 NO4* NC1* NN1 NC2 gd_6
5456 NC2 NC3 NC7 NN7 gd_1
5457 NC3 NC7 NN7 NH71 gd_4
5458 [ GLCA ]
5459 [ atoms ]
5460 C1 CH1 0.400 0
5461 O5 OA -0.360 0
5462 C5 CH1 0.160 0
5463 C6 CH2 0.150 1
5464 O6 OA -0.548 1
5465 H6 H 0.398 1
5466 C2 CH1 0.150 2
5467 O2 OA -0.548 2
5468 H2 H 0.398 2
5469 C3 CH1 0.150 3
5470 O3 OA -0.548 3
5471 H3 H 0.398 3
5472 C4 CH1 0.160 4
5473 O4 OA -0.360 4
5474 [ bonds ]
5475 C1 O5 gb_19
5476 C1 C2 gb_25
5477 O5 C5 gb_19
5478 C5 C6 gb_25
5479 C5 C4 gb_25
5480 C6 O6 gb_19
5481 O6 H6 gb_1
5482 C2 O2 gb_19
5483 C2 C3 gb_25
5484 O2 H2 gb_1
5485 C3 O3 gb_19
5486 C3 C4 gb_25
5487 O3 H3 gb_1
5488 C4 O4 gb_19
5489 O4 +N gb_19
5490 [ angles ]
5491 ; ai aj ak gromos type
5492 NH3* C1 O5 ga_8
5493 NH3* C1 C2 ga_8
5494 O5 C1 C2 ga_8
5495 C1 O5 C5 ga_9
5496 O5 C5 C6 ga_8
5497 O5 C5 C4 ga_8
5498 C6 C5 C4 ga_7
5499 C5 C6 O6 ga_8
5500 C6 O6 H6 ga_11
5501 C1 C2 O2 ga_8
5502 C1 C2 C3 ga_7
5503 O2 C2 C3 ga_8
5504 C2 O2 H2 ga_11
5505 C2 C3 O3 ga_8
5506 C2 C3 C4 ga_7
5507 O3 C3 C4 ga_8
5508 C3 O3 H3 ga_11
5509 C5 C4 C3 ga_7
5510 C5 C4 O4 ga_8
5511 C3 C4 O4 ga_8
5512 C4 O4 +N ga_9
5513 [ impropers ]
5514 ; ai aj ak al gromos type
5515 C1 O5 NH3* C2 gi_2
5516 C5 O5 C6 C4 gi_2
5517 C2 O2 C3 C1 gi_2
5518 C3 O3 C2 C4 gi_2
5519 C4 C3 O4 C5 gi_2
5520 [ dihedrals ]
5521 ; ai aj ak al gromos type
5522 -C NH3* C1 C2 gd_14
5523 NH3* C1 C2 C3 gd_17
5524 NH3* C1 C2 C3 gd_7
5525 O5 C1 C2 C3 gd_7
5526 O5 C1 C2 O2 gd_8
5527 NH3* C1 C2 O2 gd_8
5528 C1 C2 O2 H2 gd_12
5529 C1 C2 C3 C4 gd_17
5530 C1 C2 C3 O3 gd_7
5531 O2 C2 C3 C4 gd_7
5532 O2 C2 C3 O3 gd_8
5533 C2 C3 O3 H3 gd_12
5534 C2 C3 C4 C5 gd_17
5535 C2 C3 C4 O4 gd_7
5536 O3 C3 C4 C5 gd_7
5537 O3 C3 C4 O4 gd_8
5538 C2 C1 O5 C5 gd_14
5539 C1 O5 C5 C4 gd_14
5540 C4 C5 C6 O6 gd_17
5541 C4 C5 C6 O6 gd_7
5542 O5 C5 C6 O6 gd_8
5543 C5 C6 O6 H6 gd_12
5544 C6 C5 C4 C3 gd_17
5545 O5 C5 C4 C3 gd_7
5546 C6 C5 C4 O4 gd_7
5547 O5 C5 C4 O4 gd_8
5548 C3 C4 O4 +N gd_14
5549 [ GLCB ]
5550 [ atoms ]
5551 C1 CH1 0.400 0
5552 O5 OA -0.360 0
5553 C5 CH1 0.160 0
5554 C6 CH2 0.150 1
5555 O6 OA -0.548 1
5556 H6 H 0.398 1
5557 C3 CH1 0.150 2
5558 O3 OA -0.548 2
5559 H3 H 0.398 2
5560 C4 CH1 0.150 3
5561 O4 OA -0.548 3
5562 H4 H 0.398 3
5563 C2 CH1 0.160 4
5564 O2 OA -0.360 4
5565 [ bonds ]
5566 C1 O5 gb_19
5567 C1 C2 gb_25
5568 O5 C5 gb_19
5569 C5 C6 gb_25
5570 C5 C4 gb_25
5571 C6 O6 gb_19
5572 O6 H6 gb_1
5573 C3 O3 gb_19
5574 C3 C4 gb_25
5575 C3 C2 gb_25
5576 O3 H3 gb_1
5577 C4 O4 gb_19
5578 O4 H4 gb_1
5579 C2 O2 gb_19
5580 O2 +N gb_19
5581 [ angles ]
5582 ; ai aj ak gromos type
5583 NH3* C1 O5 ga_8
5584 NH3* C1 C2 ga_8
5585 O5 C1 C2 ga_8
5586 C1 O5 C5 ga_9
5587 O5 C5 C6 ga_8
5588 O5 C5 C4 ga_8
5589 C6 C5 C4 ga_7
5590 C5 C6 O6 ga_8
5591 C6 O6 H6 ga_11
5592 C4 C3 O3 ga_8
5593 C4 C3 C2 ga_7
5594 O3 C3 C2 ga_8
5595 C3 O3 H3 ga_11
5596 C5 C4 O4 ga_8
5597 C5 C4 C3 ga_7
5598 C3 C4 O4 ga_8
5599 C4 O4 H4 ga_11
5600 C1 C2 C3 ga_7
5601 C1 C2 O2 ga_8
5602 C3 C2 O2 ga_8
5603 C2 O2 +N ga_9
5604 [ impropers ]
5605 ; ai aj ak al gromos type
5606 C1 NH3* O5 C2 gi_2
5607 C5 O5 C6 C4 gi_2
5608 C3 O3 C2 C4 gi_2
5609 C4 C3 O4 C5 gi_2
5610 C2 O2 C3 C1 gi_2
5611 [ dihedrals ]
5612 ; ai aj ak al gromos type
5613 -C NH3* C1 C2 gd_14
5614 NH3* C1 C2 C3 gd_17
5615 NH3* C1 C2 C3 gd_7
5616 O5 C1 C2 C3 gd_7
5617 O5 C1 C2 O2 gd_8
5618 NH3* C1 C2 O2 gd_8
5619 C1 C2 C3 C4 gd_17
5620 C1 C2 C3 O3 gd_7
5621 O2 C2 C3 C4 gd_7
5622 O2 C2 C3 O3 gd_8
5623 C2 C3 O3 H3 gd_12
5624 C2 C3 C4 C5 gd_17
5625 C2 C3 C4 O4 gd_7
5626 O3 C3 C4 C5 gd_7
5627 O3 C3 C4 O4 gd_8
5628 C3 C4 O4 H4 gd_12
5629 C2 C1 O5 C5 gd_14
5630 C1 O5 C5 C4 gd_14
5631 C4 C5 C6 O6 gd_17
5632 C4 C5 C6 O6 gd_7
5633 O5 C5 C6 O6 gd_8
5634 C5 C6 O6 H6 gd_12
5635 C6 C5 C4 C3 gd_17
5636 O5 C5 C4 C3 gd_7
5637 C6 C5 C4 O4 gd_7
5638 O5 C5 C4 O4 gd_8
5639 C1 C2 O2 +N gd_14
5640 [ GALB ]
5641 [ atoms ]
5642 C1 CH1 0.400 0
5643 O5 OA -0.360 0
5644 C5 CH1 0.160 0
5645 C6 CH2 0.150 1
5646 O6 OA -0.548 1
5647 H6 H 0.398 1
5648 C2 CH1 0.150 2
5649 O2 OA -0.548 2
5650 H2 H 0.398 2
5651 C4 CH1 0.150 3
5652 O4 OA -0.548 3
5653 H4 H 0.398 3
5654 C3 CH1 0.160 4
5655 O3 OA -0.360 4
5656 [ bonds ]
5657 C1 O5 gb_19
5658 C1 C2 gb_25
5659 O5 C5 gb_19
5660 C5 C6 gb_25
5661 C5 C4 gb_25
5662 C6 O6 gb_19
5663 O6 H6 gb_1
5664 C2 O2 gb_19
5665 C2 C3 gb_25
5666 O2 H2 gb_1
5667 C4 O4 gb_19
5668 C4 C3 gb_25
5669 O4 H4 gb_1
5670 C3 O3 gb_19
5671 O3 +N gb_19
5672 [ angles ]
5673 ; ai aj ak gromos type
5674 NH3* C1 O5 ga_8
5675 NH3* C1 C2 ga_8
5676 O5 C1 C2 ga_8
5677 C1 O5 C5 ga_9
5678 O5 C5 C6 ga_8
5679 O5 C5 C4 ga_8
5680 C6 C5 C4 ga_7
5681 C5 C6 O6 ga_8
5682 C6 O6 H6 ga_11
5683 C1 C2 O2 ga_8
5684 C1 C2 C3 ga_7
5685 O2 C2 C3 ga_8
5686 C2 O2 H2 ga_11
5687 C5 C4 O4 ga_8
5688 C5 C4 C3 ga_7
5689 O4 C4 C3 ga_8
5690 C4 O4 H4 ga_11
5691 C2 C3 C4 ga_7
5692 C2 C3 O3 ga_8
5693 C4 C3 O3 ga_8
5694 C3 O3 +N ga_9
5695 [ impropers ]
5696 ; ai aj ak al gromos type
5697 C1 NH3* O5 C2 gi_2
5698 C5 O5 C6 C4 gi_2
5699 C2 O2 C3 C1 gi_2
5700 C4 O4 C3 C5 gi_2
5701 C3 O3 C2 C4 gi_2
5702 [ dihedrals ]
5703 ; ai aj ak al gromos type
5704 -C NH3* C1 C2 gd_14
5705 NH3* C1 C2 C3 gd_17
5706 NH3* C1 C2 C3 gd_7
5707 O5 C1 C2 C3 gd_7
5708 O5 C1 C2 O2 gd_8
5709 NH3* C1 C2 O2 gd_8
5710 C1 C2 O2 H2 gd_12
5711 C1 C2 C3 C4 gd_17
5712 C1 C2 C3 O3 gd_7
5713 O2 C2 C3 C4 gd_7
5714 O2 C2 C3 O3 gd_8
5715 C2 C3 C4 C5 gd_17
5716 C2 C3 C4 O4 gd_7
5717 O3 C3 C4 C5 gd_7
5718 O3 C3 C4 O4 gd_8
5719 C3 C4 O4 H4 gd_12
5720 C2 C1 O5 C5 gd_14
5721 C1 O5 C5 C4 gd_14
5722 C4 C5 C6 O6 gd_17
5723 C4 C5 C6 O6 gd_7
5724 O5 C5 C6 O6 gd_8
5725 C5 C6 O6 H6 gd_12
5726 C6 C5 C4 C3 gd_17
5727 O5 C5 C4 C3 gd_7
5728 C6 C5 C4 O4 gd_7
5729 O5 C5 C4 O4 gd_8
5730 C2 C3 O3 +N gd_14
5731 [ HEME ]
5732 [ atoms ]
5733 FE FE 0.400 0
5734 NA NR -0.100 0
5735 NB NR -0.100 0
5736 NC NR -0.100 0
5737 ND NR -0.100 0
5738 CHA C -0.100 1
5739 HHA HC 0.100 1
5740 C1A C 0.000 2
5741 C2A C 0.000 2
5742 C3A C 0.000 2
5743 C4A C 0.000 2
5744 CMA CH3 0.000 3
5745 CAA CH2 0.000 4
5746 CBA CH2 0.000 4
5747 CGA C 0.720 5
5748 O1A OM -0.360 5
5749 O2A OM -0.360 5
5750 CHB C -0.100 6
5751 HHB HC 0.100 6
5752 C1B C 0.000 7
5753 C2B C 0.000 7
5754 C3B C 0.000 7
5755 C4B C 0.000 7
5756 CMB CH3 0.000 8
5757 CAB CR1 0.000 9
5758 CBB CH2 0.000 9
5759 CHC C -0.100 10
5760 HHC HC 0.100 10
5761 C1C C 0.000 11
5762 C2C C 0.000 11
5763 C3C C 0.000 11
5764 C4C C 0.000 11
5765 CMC CH3 0.000 12
5766 CAC CR1 0.000 13
5767 CBC CH2 0.000 13
5768 CHD C -0.100 14
5769 HHD HC 0.100 14
5770 C1D C 0.000 15
5771 C2D C 0.000 15
5772 C3D C 0.000 15
5773 C4D C 0.000 15
5774 CMD CH3 0.000 16
5775 CAD CH2 0.000 17
5776 CBD CH2 0.000 17
5777 CGD C 0.720 18
5778 O1D OM -0.360 18
5779 O2D OM -0.360 18
5780 [ bonds ]
5781 FE NA gb_34
5782 FE NB gb_34
5783 FE NC gb_34
5784 FE ND gb_34
5785 NA C1A gb_13
5786 NA C4A gb_13
5787 NB C1B gb_13
5788 NB C4B gb_13
5789 NC C1C gb_13
5790 NC C4C gb_13
5791 ND C1D gb_13
5792 ND C4D gb_13
5793 CHA HHA gb_3
5794 CHA C1A gb_16
5795 CHA C4D gb_16
5796 C1A C2A gb_16
5797 C2A C3A gb_16
5798 C2A CAA gb_26
5799 C3A C4A gb_16
5800 C3A CMA gb_26
5801 C4A CHB gb_16
5802 CAA CBA gb_26
5803 CBA CGA gb_26
5804 CGA O1A gb_5
5805 CGA O2A gb_5
5806 CHB HHB gb_3
5807 CHB C1B gb_16
5808 C1B C2B gb_16
5809 C2B C3B gb_16
5810 C2B CMB gb_26
5811 C3B C4B gb_16
5812 C3B CAB gb_26
5813 C4B CHC gb_16
5814 CAB CBB gb_11
5815 CHC HHC gb_3
5816 CHC C1C gb_16
5817 C1C C2C gb_16
5818 C2C C3C gb_16
5819 C2C CMC gb_26
5820 C3C C4C gb_16
5821 C3C CAC gb_26
5822 C4C CHD gb_16
5823 CAC CBC gb_11
5824 CHD HHD gb_3
5825 CHD C1D gb_16
5826 C1D C2D gb_16
5827 C2D C3D gb_16
5828 C2D CMD gb_26
5829 C3D C4D gb_16
5830 C3D CAD gb_26
5831 CAD CBD gb_26
5832 CBD CGD gb_26
5833 CGD O1D gb_5
5834 CGD O2D gb_5
5835 [ angles ]
5836 ; ai aj ak gromos type
5837 NA FE NB ga_1
5838 NB FE NC ga_1
5839 NC FE ND ga_1
5840 NA FE ND ga_1
5841 FE NA C1A ga_35
5842 FE NA C4A ga_35
5843 C1A NA C4A ga_5
5844 FE NB C1B ga_35
5845 FE NB C4B ga_35
5846 C1B NB C4B ga_5
5847 FE NC C1C ga_35
5848 FE NC C4C ga_35
5849 C1C NC C4C ga_5
5850 FE ND C1D ga_35
5851 FE ND C4D ga_35
5852 C1D ND C4D ga_5
5853 C1A CHA HHA ga_19
5854 C1A CHA C4D ga_36
5855 HHA CHA C4D ga_19
5856 NA C1A CHA ga_32
5857 NA C1A C2A ga_14
5858 CHA C1A C2A ga_37
5859 C1A C2A C3A ga_6
5860 C1A C2A CAA ga_36
5861 C3A C2A CAA ga_36
5862 C2A C3A C4A ga_6
5863 C2A C3A CMA ga_36
5864 C4A C3A CMA ga_36
5865 NA C4A C3A ga_14
5866 NA C4A CHB ga_32
5867 C3A C4A CHB ga_37
5868 C2A CAA CBA ga_14
5869 CAA CBA CGA ga_14
5870 CBA CGA O1A ga_21
5871 CBA CGA O2A ga_21
5872 O1A CGA O2A ga_37
5873 C4A CHB HHB ga_19
5874 C4A CHB C1B ga_36
5875 HHB CHB C1B ga_19
5876 NB C1B CHB ga_32
5877 NB C1B C2B ga_14
5878 CHB C1B C2B ga_37
5879 C1B C2B C3B ga_6
5880 C1B C2B CMB ga_36
5881 C3B C2B CMB ga_36
5882 C2B C3B C4B ga_6
5883 C2B C3B CAB ga_36
5884 C4B C3B CAB ga_36
5885 NB C4B C3B ga_14
5886 NB C4B CHC ga_32
5887 C3B C4B CHC ga_37
5888 C3B CAB CBB ga_36
5889 C4B CHC HHC ga_19
5890 C4B CHC C1C ga_36
5891 HHC CHC C1C ga_19
5892 NC C1C CHC ga_32
5893 NC C1C C2C ga_14
5894 CHC C1C C2C ga_37
5895 C1C C2C C3C ga_6
5896 C1C C2C CMC ga_36
5897 C3C C2C CMC ga_36
5898 C2C C3C C4C ga_6
5899 C2C C3C CAC ga_36
5900 C4C C3C CAC ga_36
5901 NC C4C C3C ga_14
5902 NC C4C CHD ga_32
5903 C3C C4C CHD ga_37
5904 C3C CAC CBC ga_36
5905 C4C CHD HHD ga_19
5906 C4C CHD C1D ga_36
5907 HHD CHD C1D ga_19
5908 ND C1D CHD ga_32
5909 ND C1D C2D ga_14
5910 CHD C1D C2D ga_37
5911 C1D C2D C3D ga_6
5912 C1D C2D CMD ga_36
5913 C3D C2D CMD ga_36
5914 C2D C3D C4D ga_6
5915 C2D C3D CAD ga_36
5916 C4D C3D CAD ga_36
5917 ND C4D CHA ga_32
5918 ND C4D C3D ga_14
5919 CHA C4D C3D ga_37
5920 C3D CAD CBD ga_14
5921 CAD CBD CGD ga_14
5922 CBD CGD O1D ga_21
5923 CBD CGD O2D ga_21
5924 O1D CGD O2D ga_37
5925 [ impropers ]
5926 ; ai aj ak al gromos type
5927 FE C1A C4A NA gi_3
5928 FE C1B C4B NB gi_3
5929 FE C1C C4C NC gi_3
5930 FE C1D C4D ND gi_3
5931 CHA NA C2A C1A gi_1
5932 CHB NA C3A C4A gi_1
5933 CHB NB C2B C1B gi_1
5934 CHC NB C3B C4B gi_1
5935 CHC NC C2C C1C gi_1
5936 CHD NC C3C C4C gi_1
5937 CHD ND C2D C1D gi_1
5938 CHA ND C3D C4D gi_1
5939 C2A C1A C3A CAA gi_1
5940 C3A C2A C4A CMA gi_1
5941 C2B C1B C3B CMB gi_1
5942 C3B C2B C4B CAB gi_1
5943 C2C C1C C3C CMC gi_1
5944 C3C C2C C4C CAC gi_1
5945 C2D C1D C3D CMD gi_1
5946 C3D C2D C4D CAD gi_1
5947 CBA O1A O2A CGA gi_1
5948 CBD O1D O2D CGD gi_1
5949 CHA C4D C1A HHA gi_1
5950 CHB C4A C1B HHB gi_1
5951 CHC C4B C1C HHC gi_1
5952 CHD C4C C1D HHD gi_1
5953 NA C1A C2A C3A gi_1
5954 C1A C2A C3A C4A gi_1
5955 C2A C3A C4A NA gi_1
5956 C1A NA C4A C3A gi_1
5957 C2A C1A NA C4A gi_1
5958 NB C1B C2B C3B gi_1
5959 C1B C2B C3B C4B gi_1
5960 NB C4B C3B C2B gi_1
5961 C4B NB C1B C2B gi_1
5962 C1B NB C4B C3B gi_1
5963 NC C1C C2C C3C gi_1
5964 C1C C2C C3C C4C gi_1
5965 NC C4C C3C C2C gi_1
5966 C4C NC C1C C2C gi_1
5967 C1C NC C4C C3C gi_1
5968 ND C1D C2D C3D gi_1
5969 C1D C2D C3D C4D gi_1
5970 ND C4D C3D C2D gi_1
5971 C4D ND C1D C2D gi_1
5972 C1D ND C4D C3D gi_1
5973 [ dihedrals ]
5974 ; ai aj ak al gromos type
5975 NA C4A CHB C1B gd_5
5976 C4A CHB C1B NB gd_5
5977 NB C4B CHC C1C gd_5
5978 C4B CHC C1C NC gd_5
5979 NC C4C CHD C1D gd_5
5980 C4C CHD C1D ND gd_5
5981 ND C4D CHA C1A gd_5
5982 C4D CHA C1A NA gd_5
5983 C1A C2A CAA CBA gd_20
5984 C2A CAA CBA CGA gd_17
5985 CAA CBA CGA O1A gd_20
5986 C2B C3B CAB CBB gd_3
5987 C2C C3C CAC CBC gd_3
5988 C2D C3D CAD CBD gd_20
5989 C3D CAD CBD CGD gd_17
5990 CAD CBD CGD O1D gd_20
5991 ND FE NA C1A 0 0 2
5992 NA FE NB C1B 0 0 2
5993 NB FE NC C1C 0 0 2
5994 NC FE ND C1D 0 0 2
5995 [ CYT* ]
5996 [ atoms ]
5997 C4* CH1 0.160 0
5998 O4* OA -0.360 0
5999 C1* CH1 0.200 0
6000 N1 NR -0.200 1
6001 C6 CR1 0.200 1
6002 C2 C 0.380 2
6003 O2 O -0.380 2
6004 N3 NR -0.360 3
6005 C4 C 0.360 3
6006 N4 NT -0.830 4
6007 H41 H 0.415 4
6008 H42 H 0.415 4
6009 C5 CR1 0.000 5
6010 C2* CH1 0.150 6
6011 O2* OA -0.548 6
6012 H2* H 0.398 6
6013 C3* CH1 0.000 7
6014 O3* OA -0.360 8
6015 SI1 P 0.540 8
6016 OSI OA -0.360 8
6017 SI2 P 0.540 8
6018 O5* OA -0.360 8
6019 C5* CH2 0.000 9
6020 C11 CH1 0.000 10
6021 C111 CH3 0.000 10
6022 C112 CH3 0.000 10
6023 C12 CH1 0.000 11
6024 C121 CH3 0.000 11
6025 C122 CH3 0.000 11
6026 C21 CH1 0.000 12
6027 C211 CH3 0.000 12
6028 C212 CH3 0.000 12
6029 C22 CH1 0.000 13
6030 C221 CH3 0.000 13
6031 C222 CH3 0.000 13
6032 [ bonds ]
6033 C4* O4* gb_19
6034 C4* C3* gb_25
6035 C4* C5* gb_25
6036 O4* C1* gb_19
6037 C1* N1 gb_22
6038 C1* C2* gb_25
6039 N1 C6 gb_16
6040 N1 C2 gb_16
6041 C6 C5 gb_15
6042 C2 O2 gb_4
6043 C2 N3 gb_11
6044 N3 C4 gb_11
6045 C4 N4 gb_8
6046 C4 C5 gb_15
6047 N4 H41 gb_2
6048 N4 H42 gb_2
6049 C2* O2* gb_19
6050 C2* C3* gb_25
6051 O2* H2* gb_1
6052 C3* O3* gb_19
6053 O3* SI1 gb_28
6054 SI1 OSI gb_28
6055 SI1 C11 gb_31
6056 SI1 C12 gb_31
6057 OSI SI2 gb_28
6058 SI2 O5* gb_28
6059 SI2 C21 gb_31
6060 SI2 C22 gb_31
6061 O5* C5* gb_19
6062 C11 C111 gb_26
6063 C11 C112 gb_26
6064 C12 C121 gb_26
6065 C12 C122 gb_26
6066 C21 C211 gb_26
6067 C21 C212 gb_26
6068 C22 C221 gb_26
6069 C22 C222 gb_26
6070 [ angles ]
6071 ; ai aj ak gromos type
6072 O4* C4* C3* ga_8
6073 O4* C4* C5* ga_8
6074 C3* C4* C5* ga_7
6075 C4* O4* C1* ga_9
6076 O4* C1* N1 ga_8
6077 O4* C1* C2* ga_8
6078 N1 C1* C2* ga_7
6079 C1* N1 C6 ga_26
6080 C1* N1 C2 ga_26
6081 C6 N1 C2 ga_26
6082 N1 C6 C5 ga_26
6083 N1 C2 O2 ga_26
6084 N1 C2 N3 ga_26
6085 O2 C2 N3 ga_26
6086 C2 N3 C4 ga_26
6087 N3 C4 N4 ga_26
6088 N3 C4 C5 ga_26
6089 N4 C4 C5 ga_26
6090 C4 N4 H41 ga_22
6091 C4 N4 H42 ga_22
6092 H41 N4 H42 ga_23
6093 C6 C5 C4 ga_26
6094 C1* C2* O2* ga_8
6095 C1* C2* C3* ga_7
6096 O2* C2* C3* ga_8
6097 C2* O2* H2* ga_11
6098 C4* C3* C2* ga_7
6099 C4* C3* O3* ga_8
6100 C2* C3* O3* ga_8
6101 C3* O3* SI1 ga_25
6102 O3* SI1 OSI ga_11
6103 O3* SI1 C11 ga_11
6104 O3* SI1 C12 ga_11
6105 OSI SI1 C11 ga_11
6106 OSI SI1 C12 ga_11
6107 C11 SI1 C12 ga_11
6108 SI1 OSI SI2 ga_39
6109 OSI SI2 O5* ga_11
6110 OSI SI2 C21 ga_11
6111 OSI SI2 C22 ga_11
6112 O5* SI2 C21 ga_11
6113 O5* SI2 C22 ga_11
6114 C21 SI2 C22 ga_11
6115 SI2 O5* C5* ga_25
6116 C4* C5* O5* ga_8
6117 SI1 C11 C111 ga_12
6118 SI1 C11 C112 ga_12
6119 C111 C11 C112 ga_14
6120 SI1 C12 C121 ga_12
6121 SI1 C12 C122 ga_12
6122 C121 C12 C122 ga_14
6123 SI2 C21 C211 ga_12
6124 SI2 C21 C212 ga_12
6125 C211 C21 C212 ga_14
6126 SI2 C22 C221 ga_12
6127 SI2 C22 C222 ga_12
6128 C221 C22 C222 ga_14
6129 [ impropers ]
6130 ; ai aj ak al gromos type
6131 C4* O4* C5* C3* gi_2
6132 C3* C2* O3* C4* gi_2
6133 C2* O2* C3* C1* gi_2
6134 C1* N1 O4* C2* gi_2
6135 N1 C6 C2 C1* gi_1
6136 C2 N1 C6 C5 gi_1
6137 C6 N1 C2 N3 gi_1
6138 N1 C6 C5 C4 gi_1
6139 N1 C2 N3 C4 gi_1
6140 C6 C5 C4 N3 gi_1
6141 C2 N3 C4 C5 gi_1
6142 C2 N3 N1 O2 gi_1
6143 C4 C5 N3 N4 gi_1
6144 N4 H41 H42 C4 gi_1
6145 C11 C112 C111 SI1 gi_2
6146 C12 C122 C121 SI1 gi_2
6147 C21 C212 C211 SI2 gi_2
6148 C22 C222 C221 SI2 gi_2
6149 [ dihedrals ]
6150 ; ai aj ak al gromos type
6151 O5* C5* C4* C3* gd_17
6152 O5* C5* C4* C3* gd_7
6153 O5* C5* C4* O4* gd_8
6154 C5* C4* C3* C2* gd_17
6155 C5* C4* C3* O3* gd_7
6156 O4* C4* C3* C2* gd_7
6157 O4* C4* C3* O3* gd_8
6158 C4* C3* C2* C1* gd_17
6159 O3* C3* C2* C1* gd_7
6160 C4* C3* C2* O2* gd_7
6161 O3* C3* C2* O2* gd_8
6162 C3* C2* C1* O4* gd_17
6163 C3* C2* C1* O4* gd_7
6164 O2* C2* C1* N1 gd_7
6165 O2* C2* C1* O4* gd_8
6166 C3* C4* O4* C1* gd_14
6167 C4* O4* C1* C2* gd_14
6168 O4* C1* N1 C2 gd_6
6169 N3 C4 N4 H41 gd_4
6170 C1* C2* O2* H2* gd_12
6171 C4* C3* O3* SI1 gd_14
6172 C3* O3* SI1 OSI gd_14
6173 O3* SI1 OSI SI2 gd_14
6174 SI1 OSI SI2 O5* gd_14
6175 OSI SI2 O5* C5* gd_14
6176 SI2 O5* C5* C4* gd_14
6177 O3* SI1 C11 C111 gd_17
6178 O3* SI1 C12 C121 gd_17
6179 O5* SI2 C21 C211 gd_17
6180 O5* SI2 C22 C221 gd_17
6181 [ MTXH ]
6182 [ atoms ]
6183 N1 NR -0.280 0
6184 HA1 H 0.280 0
6185 C2 C 0.000 0
6186 NA2 NT -0.830 1
6187 HA21 H 0.415 1
6188 HA22 H 0.415 1
6189 N3 NR -0.360 2
6190 C4 C 0.360 2
6191 NA4 NT -0.830 3
6192 HA41 H 0.415 3
6193 HA42 H 0.415 3
6194 C4A C 0.000 4
6195 N5 NR -0.360 4
6196 C6 C 0.360 4
6197 C7 CR1 0.360 5
6198 N8 NR -0.360 5
6199 C8A C 0.000 5
6200 C9 CH2 0.000 6
6201 N10 NE 0.000 6
6202 CM10 CH3 0.000 6
6203 C14 C 0.000 7
6204 C13 CR1 0.000 7
6205 C15 CR1 0.000 7
6206 C12 CR1 0.000 8
6207 C16 CR1 0.000 8
6208 C11 C 0.000 8
6209 C C 0.380 9
6210 O O -0.380 9
6211 N N -0.280 10
6212 H H 0.280 10
6213 CA CH1 0.000 11
6214 CB CH2 0.000 11
6215 CG CH2 0.000 11
6216 CD C 0.720 12
6217 OE1 OM -0.360 12
6218 OE2 OM -0.360 12
6219 CT C 0.720 13
6220 O1 OM -0.360 13
6221 O2 OM -0.360 13
6222 [ bonds ]
6223 N1 HA1 gb_2
6224 N1 C2 gb_16
6225 N1 C8A gb_16
6226 C2 NA2 gb_8
6227 C2 N3 gb_11
6228 NA2 HA21 gb_2
6229 NA2 HA22 gb_2
6230 N3 C4 gb_11
6231 C4 NA4 gb_8
6232 C4 C4A gb_15
6233 NA4 HA41 gb_2
6234 NA4 HA42 gb_2
6235 C4A N5 gb_11
6236 C4A C8A gb_15
6237 N5 C6 gb_11
6238 C6 C7 gb_15
6239 C6 C9 gb_26
6240 C7 N8 gb_6
6241 N8 C8A gb_11
6242 C9 N10 gb_20
6243 N10 CM10 gb_20
6244 N10 C14 gb_10
6245 C14 C13 gb_15
6246 C14 C15 gb_15
6247 C13 C12 gb_15
6248 C15 C16 gb_15
6249 C12 C11 gb_15
6250 C16 C11 gb_15
6251 C11 C gb_26
6252 C O gb_4
6253 C N gb_9
6254 N H gb_2
6255 N CA gb_20
6256 CA CB gb_26
6257 CA CT gb_26
6258 CB CG gb_26
6259 CG CD gb_26
6260 CD OE1 gb_5
6261 CD OE2 gb_5
6262 CT O1 gb_5
6263 CT O2 gb_5
6264 [ angles ]
6265 ; ai aj ak gromos type
6266 HA1 N1 C2 ga_24
6267 HA1 N1 C8A ga_24
6268 C2 N1 C8A ga_26
6269 N1 C2 NA2 ga_26
6270 N1 C2 N3 ga_26
6271 NA2 C2 N3 ga_26
6272 C2 NA2 HA21 ga_22
6273 C2 NA2 HA22 ga_22
6274 HA21 NA2 HA22 ga_23
6275 C2 N3 C4 ga_26
6276 N3 C4 NA4 ga_26
6277 N3 C4 C4A ga_26
6278 NA4 C4 C4A ga_26
6279 C4 NA4 HA41 ga_22
6280 C4 NA4 HA42 ga_22
6281 HA41 NA4 HA42 ga_23
6282 C4 C4A N5 ga_26
6283 C4 C4A C8A ga_26
6284 N5 C4A C8A ga_26
6285 C4A N5 C6 ga_26
6286 N5 C6 C7 ga_26
6287 N5 C6 C9 ga_26
6288 C7 C6 C9 ga_26
6289 C6 C7 N8 ga_26
6290 C7 N8 C8A ga_26
6291 N1 C8A C4A ga_26
6292 N1 C8A N8 ga_26
6293 C4A C8A N8 ga_26
6294 C6 C9 N10 ga_14
6295 C9 N10 CM10 ga_19
6296 C9 N10 C14 ga_32
6297 CM10 N10 C14 ga_22
6298 N10 C14 C13 ga_26
6299 N10 C14 C15 ga_26
6300 C13 C14 C15 ga_26
6301 C14 C13 C12 ga_26
6302 C14 C15 C16 ga_26
6303 C13 C12 C11 ga_26
6304 C15 C16 C11 ga_26
6305 C12 C11 C16 ga_26
6306 C12 C11 C ga_26
6307 C16 C11 C ga_26
6308 C11 C O ga_29
6309 C11 C N ga_18
6310 O C N ga_32
6311 C N H ga_31
6312 C N CA ga_30
6313 H N CA ga_17
6314 N CA CB ga_12
6315 N CA CT ga_12
6316 CB CA CT ga_12
6317 CA CB CG ga_14
6318 CB CG CD ga_14
6319 CG CD OE1 ga_21
6320 CG CD OE2 ga_21
6321 OE1 CD OE2 ga_37
6322 CA CT O1 ga_21
6323 CA CT O2 ga_21
6324 O1 CT O2 ga_37
6325 [ impropers ]
6326 ; ai aj ak al gromos type
6327 N1 C2 C8A HA1 gi_1
6328 C2 N1 N3 NA2 gi_1
6329 NA2 HA21 HA22 C2 gi_1
6330 C4 N3 C4A NA4 gi_1
6331 NA4 HA41 HA42 C4 gi_1
6332 N1 C2 N3 C4 gi_1
6333 C2 N3 C4 C4A gi_1
6334 N3 C4 C4A C8A gi_1
6335 C4 C4A C8A N1 gi_1
6336 C4A C8A N1 C2 gi_1
6337 C8A N1 C2 N3 gi_1
6338 C4A C4 N5 C8A gi_1
6339 C8A N1 N8 C4A gi_1
6340 C4A N5 C6 C7 gi_1
6341 N5 C6 C7 N8 gi_1
6342 C6 C7 N8 C8A gi_1
6343 C7 N8 C8A C4A gi_1
6344 N8 C8A C4A N5 gi_1
6345 C8A C4A N5 C6 gi_1
6346 C6 N5 C7 C9 gi_1
6347 N10 C9 C14 CM10 gi_1
6348 C14 C13 C15 N10 gi_1
6349 C14 C13 C12 C11 gi_1
6350 C14 C15 C16 C11 gi_1
6351 C13 C14 C15 C16 gi_1
6352 C15 C14 C13 C12 gi_1
6353 C13 C12 C11 C16 gi_1
6354 C15 C16 C11 C12 gi_1
6355 C11 C12 C16 C gi_1
6356 C C11 N O gi_1
6357 N C CA H gi_1
6358 CA N CT CB gi_2
6359 CD OE1 OE2 CG gi_1
6360 CT CA O2 O1 gi_1
6361 [ dihedrals ]
6362 ; ai aj ak al gromos type
6363 N1 C2 NA2 HA21 gd_4
6364 C4A C4 NA4 HA41 gd_4
6365 N5 C6 C9 N10 gd_20
6366 C6 C9 N10 C14 gd_19
6367 C9 N10 C14 C13 gd_4
6368 C12 C11 C N gd_1
6369 C11 C N CA gd_4
6370 C N CA CT gd_19
6371 N CA CT O1 gd_20
6372 N CA CB CG gd_17
6373 CA CB CG CD gd_17
6374 CB CG CD OE1 gd_20
6375 [ FOL ]
6376 [ atoms ]
6377 N1 NR -0.360 0
6378 C2 C 0.360 0
6379 NA2 NT -0.830 1
6380 HA21 H 0.415 1
6381 HA22 H 0.415 1
6382 N3 NR -0.280 2
6383 HA3 H 0.280 2
6384 C4 C 0.380 3
6385 OA4 O -0.380 3
6386 C4A C 0.000 4
6387 N5 NR -0.360 4
6388 C6 C 0.360 4
6389 C7 CR1 0.360 5
6390 N8 NR -0.360 5
6391 C8A C 0.000 5
6392 C9 CH2 0.000 6
6393 N10 NE -0.280 6
6394 H10 H 0.280 6
6395 C14 C 0.000 7
6396 C13 CR1 0.000 7
6397 C15 CR1 0.000 7
6398 C12 CR1 0.000 8
6399 C16 CR1 0.000 8
6400 C11 C 0.000 8
6401 C C 0.380 9
6402 O O -0.380 9
6403 N N -0.280 10
6404 H H 0.280 10
6405 CA CH1 0.000 11
6406 CB CH2 0.000 11
6407 CG CH2 0.000 11
6408 CD C 0.720 12
6409 OE1 OM -0.360 12
6410 OE2 OM -0.360 12
6411 CT C 0.720 13
6412 O1 OM -0.360 13
6413 O2 OM -0.360 13
6414 [ bonds ]
6415 N1 C2 gb_11
6416 N1 C8A gb_11
6417 C2 NA2 gb_8
6418 C2 N3 gb_16
6419 NA2 HA21 gb_2
6420 NA2 HA22 gb_2
6421 N3 HA3 gb_2
6422 N3 C4 gb_16
6423 C4 OA4 gb_4
6424 C4 C4A gb_15
6425 C4A N5 gb_11
6426 C4A C8A gb_15
6427 N5 C6 gb_11
6428 C6 C7 gb_15
6429 C6 C9 gb_26
6430 C7 N8 gb_6
6431 N8 C8A gb_11
6432 C9 N10 gb_20
6433 N10 H10 gb_2
6434 N10 C14 gb_10
6435 C14 C13 gb_15
6436 C14 C15 gb_15
6437 C13 C12 gb_15
6438 C15 C16 gb_15
6439 C12 C11 gb_15
6440 C16 C11 gb_15
6441 C11 C gb_26
6442 C O gb_4
6443 C N gb_9
6444 N H gb_2
6445 N CA gb_20
6446 CA CB gb_26
6447 CA CT gb_26
6448 CB CG gb_26
6449 CG CD gb_26
6450 CD OE1 gb_5
6451 CD OE2 gb_5
6452 CT O1 gb_5
6453 CT O2 gb_5
6454 [ angles ]
6455 ; ai aj ak gromos type
6456 C2 N1 C8A ga_26
6457 N1 C2 NA2 ga_26
6458 N1 C2 N3 ga_26
6459 NA2 C2 N3 ga_26
6460 C2 NA2 HA21 ga_22
6461 C2 NA2 HA22 ga_22
6462 HA21 NA2 HA22 ga_23
6463 C2 N3 HA3 ga_24
6464 C2 N3 C4 ga_26
6465 HA3 N3 C4 ga_24
6466 N3 C4 OA4 ga_26
6467 N3 C4 C4A ga_26
6468 OA4 C4 C4A ga_26
6469 C4 C4A N5 ga_26
6470 C4 C4A C8A ga_26
6471 N5 C4A C8A ga_26
6472 C4A N5 C6 ga_26
6473 N5 C6 C7 ga_26
6474 N5 C6 C9 ga_26
6475 C7 C6 C9 ga_26
6476 C6 C7 N8 ga_26
6477 C7 N8 C8A ga_26
6478 N1 C8A C4A ga_26
6479 N1 C8A N8 ga_26
6480 C4A C8A N8 ga_26
6481 C6 C9 N10 ga_14
6482 C9 N10 H10 ga_19
6483 C9 N10 C14 ga_32
6484 H10 N10 C14 ga_22
6485 N10 C14 C13 ga_26
6486 N10 C14 C15 ga_26
6487 C13 C14 C15 ga_26
6488 C14 C13 C12 ga_26
6489 C14 C15 C16 ga_26
6490 C13 C12 C11 ga_26
6491 C15 C16 C11 ga_26
6492 C12 C11 C16 ga_26
6493 C12 C11 C ga_26
6494 C16 C11 C ga_26
6495 C11 C O ga_29
6496 C11 C N ga_18
6497 O C N ga_32
6498 C N H ga_31
6499 C N CA ga_30
6500 H N CA ga_17
6501 N CA CB ga_12
6502 N CA CT ga_12
6503 CB CA CT ga_12
6504 CA CB CG ga_14
6505 CB CG CD ga_14
6506 CG CD OE1 ga_21
6507 CG CD OE2 ga_21
6508 OE1 CD OE2 ga_37
6509 CA CT O1 ga_21
6510 CA CT O2 ga_21
6511 O1 CT O2 ga_37
6512 [ impropers ]
6513 ; ai aj ak al gromos type
6514 C2 N1 N3 NA2 gi_1
6515 NA2 HA21 HA22 C2 gi_1
6516 N3 C2 C4 HA3 gi_1
6517 C4 N3 C4A OA4 gi_1
6518 N1 C2 N3 C4 gi_1
6519 C2 N3 C4 C4A gi_1
6520 N3 C4 C4A C8A gi_1
6521 C4 C4A C8A N1 gi_1
6522 C4A C8A N1 C2 gi_1
6523 C8A N1 C2 N3 gi_1
6524 C4A C4 N5 C8A gi_1
6525 C8A N1 N8 C4A gi_1
6526 C4A N5 C6 C7 gi_1
6527 N5 C6 C7 N8 gi_1
6528 C6 C7 N8 C8A gi_1
6529 C7 N8 C8A C4A gi_1
6530 N8 C8A C4A N5 gi_1
6531 C8A C4A N5 C6 gi_1
6532 C6 N5 C7 C9 gi_1
6533 N10 C9 C14 H10 gi_1
6534 C14 C13 C15 N10 gi_1
6535 C14 C13 C12 C11 gi_1
6536 C14 C15 C16 C11 gi_1
6537 C13 C14 C15 C16 gi_1
6538 C15 C14 C13 C12 gi_1
6539 C13 C12 C11 C16 gi_1
6540 C15 C16 C11 C12 gi_1
6541 C11 C12 C16 C gi_1
6542 C C11 N O gi_1
6543 N C CA H gi_1
6544 CA N CT CB gi_2
6545 CD OE1 OE2 CG gi_1
6546 CT CA O2 O1 gi_1
6547 [ dihedrals ]
6548 ; ai aj ak al gromos type
6549 N1 C2 NA2 HA21 gd_4
6550 N5 C6 C9 N10 gd_20
6551 C6 C9 N10 C14 gd_19
6552 C9 N10 C14 C13 gd_4
6553 C12 C11 C N gd_1
6554 C11 C N CA gd_4
6555 C N CA CT gd_19
6556 N CA CT O1 gd_20
6557 N CA CB CG gd_17
6558 CA CB CG CD gd_17
6559 CB CG CD OE1 gd_20
6560 [ DHF ]
6561 [ atoms ]
6562 N1 NR -0.360 0
6563 C2 C 0.360 0
6564 NA2 NT -0.830 1
6565 HA21 H 0.415 1
6566 HA22 H 0.415 1
6567 N3 NR -0.280 2
6568 HA3 H 0.280 2
6569 C4 C 0.380 3
6570 OA4 O -0.380 3
6571 C4A C 0.000 4
6572 N5 NR -0.360 4
6573 C6 C 0.360 4
6574 C7 CH2 0.000 5
6575 N8 NR -0.280 5
6576 HA8 H 0.280 5
6577 C8A C 0.000 5
6578 C9 CH2 0.000 6
6579 N10 NE -0.280 6
6580 H10 H 0.280 6
6581 C14 C 0.000 7
6582 C13 CR1 0.000 7
6583 C15 CR1 0.000 7
6584 C12 CR1 0.000 8
6585 C16 CR1 0.000 8
6586 C11 C 0.000 8
6587 C C 0.380 9
6588 O O -0.380 9
6589 N N -0.280 10
6590 H H 0.280 10
6591 CA CH1 0.000 11
6592 CB CH2 0.000 11
6593 CG CH2 0.000 11
6594 CD C 0.720 12
6595 OE1 OM -0.360 12
6596 OE2 OM -0.360 12
6597 CT C 0.720 13
6598 O1 OM -0.360 13
6599 O2 OM -0.360 13
6600 [ bonds ]
6601 N1 C2 gb_11
6602 N1 C8A gb_11
6603 C2 NA2 gb_8
6604 C2 N3 gb_16
6605 NA2 HA21 gb_2
6606 NA2 HA22 gb_2
6607 N3 HA3 gb_2
6608 N3 C4 gb_16
6609 C4 OA4 gb_4
6610 C4 C4A gb_15
6611 C4A N5 gb_11
6612 C4A C8A gb_15
6613 N5 C6 gb_11
6614 C6 C7 gb_14
6615 C6 C9 gb_26
6616 C7 N8 gb_16
6617 N8 HA8 gb_2
6618 N8 C8A gb_16
6619 C9 N10 gb_20
6620 N10 H10 gb_2
6621 N10 C14 gb_10
6622 C14 C13 gb_15
6623 C14 C15 gb_15
6624 C13 C12 gb_15
6625 C15 C16 gb_15
6626 C12 C11 gb_15
6627 C16 C11 gb_15
6628 C11 C gb_26
6629 C O gb_4
6630 C N gb_9
6631 N H gb_2
6632 N CA gb_20
6633 CA CB gb_26
6634 CA CT gb_26
6635 CB CG gb_26
6636 CG CD gb_26
6637 CD OE1 gb_5
6638 CD OE2 gb_5
6639 CT O1 gb_5
6640 CT O2 gb_5
6641 [ angles ]
6642 ; ai aj ak gromos type
6643 C2 N1 C8A ga_26
6644 N1 C2 NA2 ga_26
6645 N1 C2 N3 ga_26
6646 NA2 C2 N3 ga_26
6647 C2 NA2 HA21 ga_22
6648 C2 NA2 HA22 ga_22
6649 HA21 NA2 HA22 ga_23
6650 C2 N3 HA3 ga_24
6651 C2 N3 C4 ga_26
6652 HA3 N3 C4 ga_24
6653 N3 C4 OA4 ga_26
6654 N3 C4 C4A ga_26
6655 OA4 C4 C4A ga_26
6656 C4 C4A N5 ga_26
6657 C4 C4A C8A ga_26
6658 N5 C4A C8A ga_26
6659 C4A N5 C6 ga_26
6660 N5 C6 C7 ga_26
6661 N5 C6 C9 ga_26
6662 C7 C6 C9 ga_26
6663 C6 C7 N8 ga_26
6664 C7 N8 HA8 ga_24
6665 C7 N8 C8A ga_26
6666 HA8 N8 C8A ga_24
6667 N1 C8A C4A ga_26
6668 N1 C8A N8 ga_26
6669 C4A C8A N8 ga_26
6670 C6 C9 N10 ga_14
6671 C9 N10 H10 ga_19
6672 C9 N10 C14 ga_32
6673 H10 N10 C14 ga_22
6674 N10 C14 C13 ga_26
6675 N10 C14 C15 ga_26
6676 C13 C14 C15 ga_26
6677 C14 C13 C12 ga_26
6678 C14 C15 C16 ga_26
6679 C13 C12 C11 ga_26
6680 C15 C16 C11 ga_26
6681 C12 C11 C16 ga_26
6682 C12 C11 C ga_26
6683 C16 C11 C ga_26
6684 C11 C O ga_29
6685 C11 C N ga_18
6686 O C N ga_32
6687 C N H ga_31
6688 C N CA ga_30
6689 H N CA ga_17
6690 N CA CB ga_12
6691 N CA CT ga_12
6692 CB CA CT ga_12
6693 CA CB CG ga_14
6694 CB CG CD ga_14
6695 CG CD OE1 ga_21
6696 CG CD OE2 ga_21
6697 OE1 CD OE2 ga_37
6698 CA CT O1 ga_21
6699 CA CT O2 ga_21
6700 O1 CT O2 ga_37
6701 [ impropers ]
6702 ; ai aj ak al gromos type
6703 C2 N1 N3 NA2 gi_1
6704 NA2 HA21 HA22 C2 gi_1
6705 N3 C2 C4 HA3 gi_1
6706 C4 N3 C4A OA4 gi_1
6707 N1 C2 N3 C4 gi_1
6708 C2 N3 C4 C4A gi_1
6709 N3 C4 C4A C8A gi_1
6710 C4 C4A C8A N1 gi_1
6711 C4A C8A N1 C2 gi_1
6712 C8A N1 C2 N3 gi_1
6713 C4A C4 N5 C8A gi_1
6714 C8A N1 N8 C4A gi_1
6715 C4A N5 C6 C7 gi_1
6716 N5 C6 C7 N8 gi_1
6717 C6 C7 N8 C8A gi_1
6718 C7 N8 C8A C4A gi_1
6719 N8 C8A C4A N5 gi_1
6720 C8A C4A N5 C6 gi_1
6721 N8 C7 C8A HA8 gi_1
6722 C6 N5 C7 C9 gi_1
6723 N10 C9 C14 H10 gi_1
6724 C14 C13 C15 N10 gi_1
6725 C14 C13 C12 C11 gi_1
6726 C14 C15 C16 C11 gi_1
6727 C13 C14 C15 C16 gi_1
6728 C15 C14 C13 C12 gi_1
6729 C13 C12 C11 C16 gi_1
6730 C15 C16 C11 C12 gi_1
6731 C11 C12 C16 C gi_1
6732 C C11 N O gi_1
6733 N C CA H gi_1
6734 CA N CT CB gi_2
6735 CD OE1 OE2 CG gi_1
6736 CT CA O2 O1 gi_1
6737 [ dihedrals ]
6738 ; ai aj ak al gromos type
6739 N1 C2 NA2 HA21 gd_4
6740 N5 C6 C9 N10 gd_20
6741 C6 C9 N10 C14 gd_19
6742 C9 N10 C14 C13 gd_4
6743 C12 C11 C N gd_1
6744 C11 C N CA gd_4
6745 C N CA CT gd_19
6746 N CA CT O1 gd_20
6747 N CA CB CG gd_17
6748 CA CB CG CD gd_17
6749 CB CG CD OE1 gd_20
6750 [ THF ]
6751 [ atoms ]
6752 N1 NR -0.360 0
6753 C2 C 0.360 0
6754 NA2 NT -0.830 1
6755 HA21 H 0.415 1
6756 HA22 H 0.415 1
6757 N3 NR -0.280 2
6758 HA3 H 0.280 2
6759 C4 C 0.380 3
6760 OA4 O -0.380 3
6761 C4A C 0.000 4
6762 N5 NR -0.280 4
6763 HA5 H 0.280 4
6764 C6 CH1 0.000 4
6765 C7 CH2 0.000 5
6766 N8 NR -0.280 5
6767 HA8 H 0.280 5
6768 C8A C 0.000 5
6769 C9 CH2 0.000 6
6770 N10 NE -0.280 6
6771 H10 H 0.280 6
6772 C14 C 0.000 7
6773 C13 CR1 0.000 7
6774 C15 CR1 0.000 7
6775 C12 CR1 0.000 8
6776 C16 CR1 0.000 8
6777 C11 C 0.000 8
6778 C C 0.380 9
6779 O O -0.380 9
6780 N N -0.280 10
6781 H H 0.280 10
6782 CA CH1 0.000 11
6783 CB CH2 0.000 11
6784 CG CH2 0.000 11
6785 CD C 0.720 12
6786 OE1 OM -0.360 12
6787 OE2 OM -0.360 12
6788 CT C 0.720 13
6789 O1 OM -0.360 13
6790 O2 OM -0.360 13
6791 [ bonds ]
6792 N1 C2 gb_11
6793 N1 C8A gb_11
6794 C2 NA2 gb_8
6795 C2 N3 gb_16
6796 NA2 HA21 gb_2
6797 NA2 HA22 gb_2
6798 N3 HA3 gb_2
6799 N3 C4 gb_16
6800 C4 OA4 gb_4
6801 C4 C4A gb_15
6802 C4A N5 gb_16
6803 C4A C8A gb_15
6804 N5 HA5 gb_2
6805 N5 C6 gb_22
6806 C6 C7 gb_25
6807 C6 C9 gb_26
6808 C7 N8 gb_22
6809 N8 HA8 gb_2
6810 N8 C8A gb_16
6811 C9 N10 gb_20
6812 N10 H10 gb_2
6813 N10 C14 gb_10
6814 C14 C13 gb_15
6815 C14 C15 gb_15
6816 C13 C12 gb_15
6817 C15 C16 gb_15
6818 C12 C11 gb_15
6819 C16 C11 gb_15
6820 C11 C gb_26
6821 C O gb_4
6822 C N gb_9
6823 N H gb_2
6824 N CA gb_20
6825 CA CB gb_26
6826 CA CT gb_26
6827 CB CG gb_26
6828 CG CD gb_26
6829 CD OE1 gb_5
6830 CD OE2 gb_5
6831 CT O1 gb_5
6832 CT O2 gb_5
6833 [ angles ]
6834 ; ai aj ak gromos type
6835 C2 N1 C8A ga_26
6836 N1 C2 NA2 ga_26
6837 N1 C2 N3 ga_26
6838 NA2 C2 N3 ga_26
6839 C2 NA2 HA21 ga_22
6840 C2 NA2 HA22 ga_22
6841 HA21 NA2 HA22 ga_23
6842 C2 N3 HA3 ga_24
6843 C2 N3 C4 ga_26
6844 HA3 N3 C4 ga_24
6845 N3 C4 OA4 ga_26
6846 N3 C4 C4A ga_26
6847 OA4 C4 C4A ga_26
6848 C4 C4A N5 ga_26
6849 C4 C4A C8A ga_26
6850 N5 C4A C8A ga_26
6851 C4A N5 HA5 ga_24
6852 C4A N5 C6 ga_26
6853 HA5 N5 C6 ga_24
6854 N5 C6 C7 ga_7
6855 N5 C6 C9 ga_7
6856 C7 C6 C9 ga_7
6857 C6 C7 N8 ga_7
6858 C7 N8 HA8 ga_24
6859 C7 N8 C8A ga_26
6860 HA8 N8 C8A ga_24
6861 N1 C8A C4A ga_26
6862 N1 C8A N8 ga_26
6863 C4A C8A N8 ga_26
6864 C6 C9 N10 ga_14
6865 C9 N10 H10 ga_19
6866 C9 N10 C14 ga_32
6867 H10 N10 C14 ga_22
6868 N10 C14 C13 ga_26
6869 N10 C14 C15 ga_26
6870 C13 C14 C15 ga_26
6871 C14 C13 C12 ga_26
6872 C14 C15 C16 ga_26
6873 C13 C12 C11 ga_26
6874 C15 C16 C11 ga_26
6875 C12 C11 C16 ga_26
6876 C12 C11 C ga_26
6877 C16 C11 C ga_26
6878 C11 C O ga_29
6879 C11 C N ga_18
6880 O C N ga_32
6881 C N H ga_31
6882 C N CA ga_30
6883 H N CA ga_17
6884 N CA CB ga_12
6885 N CA CT ga_12
6886 CB CA CT ga_12
6887 CA CB CG ga_14
6888 CB CG CD ga_14
6889 CG CD OE1 ga_21
6890 CG CD OE2 ga_21
6891 OE1 CD OE2 ga_37
6892 CA CT O1 ga_21
6893 CA CT O2 ga_21
6894 O1 CT O2 ga_37
6895 [ impropers ]
6896 ; ai aj ak al gromos type
6897 C2 N1 N3 NA2 gi_1
6898 NA2 HA21 HA22 C2 gi_1
6899 N3 C2 C4 HA3 gi_1
6900 C4 N3 C4A OA4 gi_1
6901 N1 C2 N3 C4 gi_1
6902 C2 N3 C4 C4A gi_1
6903 N3 C4 C4A C8A gi_1
6904 C4 C4A C8A N1 gi_1
6905 C4A C8A N1 C2 gi_1
6906 C8A N1 C2 N3 gi_1
6907 C4A C4 N5 C8A gi_1
6908 C8A N1 N8 C4A gi_1
6909 C4A N5 C6 C7 gi_1
6910 N5 C6 C7 N8 gi_1
6911 C6 C7 N8 C8A gi_1
6912 C7 N8 C8A C4A gi_1
6913 N8 C8A C4A N5 gi_1
6914 C8A C4A N5 C6 gi_1
6915 N5 C4A C6 HA5 gi_1
6916 N8 C7 C8A HA8 gi_1
6917 C6 N5 C7 C9 gi_1
6918 N10 C9 C14 H10 gi_1
6919 C14 C13 C15 N10 gi_1
6920 C14 C13 C12 C11 gi_1
6921 C14 C15 C16 C11 gi_1
6922 C13 C14 C15 C16 gi_1
6923 C15 C14 C13 C12 gi_1
6924 C13 C12 C11 C16 gi_1
6925 C15 C16 C11 C12 gi_1
6926 C11 C12 C16 C gi_1
6927 C C11 N O gi_1
6928 N C CA H gi_1
6929 CA N CT CB gi_2
6930 CD OE1 OE2 CG gi_1
6931 CT CA O2 O1 gi_1
6932 [ dihedrals ]
6933 ; ai aj ak al gromos type
6934 N1 C2 NA2 HA21 gd_4
6935 N5 C6 C9 N10 gd_20
6936 C6 C9 N10 C14 gd_19
6937 C9 N10 C14 C13 gd_4
6938 C12 C11 C N gd_1
6939 C11 C N CA gd_4
6940 C N CA CT gd_19
6941 N CA CT O1 gd_20
6942 N CA CB CG gd_17
6943 CA CB CG CD gd_17
6944 CB CG CD OE1 gd_20
6945 [ TMP ]
6946 [ atoms ]
6947 N1 NR -0.360 0
6948 C2 C 0.360 0
6949 NA2 NT -0.830 1
6950 HA21 H 0.415 1
6951 HA22 H 0.415 1
6952 N3 NR -0.360 2
6953 C4 C 0.360 2
6954 NA4 NT -0.830 3
6955 HA41 H 0.415 3
6956 HA42 H 0.415 3
6957 C5 C 0.000 4
6958 C6 CR1 0.000 4
6959 C7 CH2 0.000 4
6960 C11 C 0.000 5
6961 C12 CR1 0.000 5
6962 C16 CR1 0.000 5
6963 C13 C 0.180 6
6964 O13 OA -0.360 6
6965 CM13 CH3 0.180 6
6966 C15 C 0.180 7
6967 O15 OA -0.360 7
6968 CM15 CH3 0.180 7
6969 C14 C 0.180 8
6970 O14 OA -0.360 8
6971 CM14 CH3 0.180 8
6972 [ bonds ]
6973 N1 C2 gb_11
6974 N1 C6 gb_6
6975 C2 NA2 gb_8
6976 C2 N3 gb_11
6977 NA2 HA21 gb_2
6978 NA2 HA22 gb_2
6979 N3 C4 gb_11
6980 C4 NA4 gb_8
6981 C4 C5 gb_15
6982 NA4 HA41 gb_2
6983 NA4 HA42 gb_2
6984 C5 C6 gb_15
6985 C5 C7 gb_26
6986 C7 C11 gb_26
6987 C11 C12 gb_15
6988 C11 C16 gb_15
6989 C12 C13 gb_15
6990 C16 C15 gb_15
6991 C13 O13 gb_12
6992 C13 C14 gb_15
6993 O13 CM13 gb_1
6994 C15 O15 gb_12
6995 C15 C14 gb_15
6996 O15 CM15 gb_1
6997 C14 O14 gb_12
6998 O14 CM14 gb_1
6999 [ angles ]
7000 ; ai aj ak gromos type
7001 C2 N1 C6 ga_26
7002 N1 C2 NA2 ga_26
7003 N1 C2 N3 ga_26
7004 NA2 C2 N3 ga_26
7005 C2 NA2 HA21 ga_22
7006 C2 NA2 HA22 ga_22
7007 HA21 NA2 HA22 ga_23
7008 C2 N3 C4 ga_26
7009 N3 C4 NA4 ga_26
7010 N3 C4 C5 ga_26
7011 NA4 C4 C5 ga_26
7012 C4 NA4 HA41 ga_22
7013 C4 NA4 HA42 ga_22
7014 HA41 NA4 HA42 ga_23
7015 C4 C5 C6 ga_26
7016 C4 C5 C7 ga_26
7017 C6 C5 C7 ga_26
7018 N1 C6 C5 ga_26
7019 C5 C7 C11 ga_14
7020 C7 C11 C12 ga_26
7021 C7 C11 C16 ga_26
7022 C12 C11 C16 ga_26
7023 C11 C12 C13 ga_26
7024 C11 C16 C15 ga_26
7025 C12 C13 O13 ga_26
7026 C12 C13 C14 ga_26
7027 O13 C13 C14 ga_26
7028 C13 O13 CM13 ga_19
7029 C16 C15 O15 ga_26
7030 C16 C15 C14 ga_26
7031 O15 C15 C14 ga_26
7032 C15 O15 CM15 ga_19
7033 C13 C14 C15 ga_26
7034 C13 C14 O14 ga_26
7035 C15 C14 O14 ga_26
7036 C14 O14 CM14 ga_19
7037 [ impropers ]
7038 ; ai aj ak al gromos type
7039 C2 N1 N3 NA2 gi_1
7040 NA2 HA21 HA22 C2 gi_1
7041 C4 N3 C5 NA4 gi_1
7042 NA4 HA41 HA42 C4 gi_1
7043 N1 C2 N3 C4 gi_1
7044 C2 N3 C4 C5 gi_1
7045 N3 C4 C5 C6 gi_1
7046 C4 C5 C6 N1 gi_1
7047 C5 C6 N1 C2 gi_1
7048 C6 N1 C2 N3 gi_1
7049 C5 C4 C6 C7 gi_1
7050 C11 C12 C16 C7 gi_1
7051 C11 C12 C13 C14 gi_1
7052 C11 C16 C15 C14 gi_1
7053 C12 C13 C14 C15 gi_1
7054 C12 C11 C16 C15 gi_1
7055 C16 C15 C14 C13 gi_1
7056 C16 C11 C12 C13 gi_1
7057 C13 C12 O13 C14 gi_1
7058 C15 C16 O15 C14 gi_1
7059 C14 C13 O14 C15 gi_1
7060 [ dihedrals ]
7061 ; ai aj ak al gromos type
7062 N1 C2 NA2 HA21 gd_4
7063 C5 C4 NA4 HA41 gd_4
7064 C4 C5 C7 C11 gd_20
7065 C5 C7 C11 C12 gd_20
7066 C12 C13 O13 CM13 gd_2
7067 C12 C13 O13 CM13 gd_3
7068 C16 C15 O15 CM15 gd_2
7069 C16 C15 O15 CM15 gd_3
7070 C13 C14 O14 CM14 gd_2
7071 [ TMPH ]
7072 [ atoms ]
7073 N1 NR -0.280 0
7074 HA1 H 0.280 0
7075 C2 C 0.000 0
7076 NA2 NT -0.830 1
7077 HA21 H 0.415 1
7078 HA22 H 0.415 1
7079 N3 NR -0.360 2
7080 C4 C 0.360 2
7081 NA4 NT -0.830 3
7082 HA41 H 0.415 3
7083 HA42 H 0.415 3
7084 C5 C 0.000 4
7085 C6 CR1 0.000 4
7086 C7 CH2 0.000 4
7087 C11 C 0.000 5
7088 C12 CR1 0.000 5
7089 C16 CR1 0.000 5
7090 C13 C 0.180 6
7091 O13 OA -0.360 6
7092 CM13 CH3 0.180 6
7093 C15 C 0.180 7
7094 O15 OA -0.360 7
7095 CM15 CH3 0.180 7
7096 C14 C 0.180 8
7097 O14 OA -0.360 8
7098 CM14 CH3 0.180 8
7099 [ bonds ]
7100 N1 HA1 gb_2
7101 N1 C2 gb_16
7102 N1 C6 gb_16
7103 C2 NA2 gb_8
7104 C2 N3 gb_11
7105 NA2 HA21 gb_2
7106 NA2 HA22 gb_2
7107 N3 C4 gb_11
7108 C4 NA4 gb_8
7109 C4 C5 gb_15
7110 NA4 HA41 gb_2
7111 NA4 HA42 gb_2
7112 C5 C6 gb_15
7113 C5 C7 gb_26
7114 C7 C11 gb_26
7115 C11 C12 gb_15
7116 C11 C16 gb_15
7117 C12 C13 gb_15
7118 C16 C15 gb_15
7119 C13 O13 gb_12
7120 C13 C14 gb_15
7121 O13 CM13 gb_1
7122 C15 O15 gb_12
7123 C15 C14 gb_15
7124 O15 CM15 gb_1
7125 C14 O14 gb_12
7126 O14 CM14 gb_1
7127 [ angles ]
7128 ; ai aj ak gromos type
7129 HA1 N1 C2 ga_24
7130 HA1 N1 C6 ga_24
7131 C2 N1 C6 ga_26
7132 N1 C2 NA2 ga_26
7133 N1 C2 N3 ga_26
7134 NA2 C2 N3 ga_26
7135 C2 NA2 HA21 ga_22
7136 C2 NA2 HA22 ga_22
7137 HA21 NA2 HA22 ga_23
7138 C2 N3 C4 ga_26
7139 N3 C4 NA4 ga_26
7140 N3 C4 C5 ga_26
7141 NA4 C4 C5 ga_26
7142 C4 NA4 HA41 ga_22
7143 C4 NA4 HA42 ga_22
7144 HA41 NA4 HA42 ga_23
7145 C4 C5 C6 ga_26
7146 C4 C5 C7 ga_26
7147 C6 C5 C7 ga_26
7148 N1 C6 C5 ga_26
7149 C5 C7 C11 ga_14
7150 C7 C11 C12 ga_26
7151 C7 C11 C16 ga_26
7152 C12 C11 C16 ga_26
7153 C11 C12 C13 ga_26
7154 C11 C16 C15 ga_26
7155 C12 C13 O13 ga_26
7156 C12 C13 C14 ga_26
7157 O13 C13 C14 ga_26
7158 C13 O13 CM13 ga_19
7159 C16 C15 O15 ga_26
7160 C16 C15 C14 ga_26
7161 O15 C15 C14 ga_26
7162 C15 O15 CM15 ga_19
7163 C13 C14 C15 ga_26
7164 C13 C14 O14 ga_26
7165 C15 C14 O14 ga_26
7166 C14 O14 CM14 ga_19
7167 [ impropers ]
7168 ; ai aj ak al gromos type
7169 N1 C2 C6 HA1 gi_1
7170 C2 N1 N3 NA2 gi_1
7171 NA2 HA21 HA22 C2 gi_1
7172 C4 N3 C5 NA4 gi_1
7173 NA4 HA41 HA42 C4 gi_1
7174 N1 C2 N3 C4 gi_1
7175 C2 N3 C4 C5 gi_1
7176 N3 C4 C5 C6 gi_1
7177 C4 C5 C6 N1 gi_1
7178 C5 C6 N1 C2 gi_1
7179 C6 N1 C2 N3 gi_1
7180 C5 C4 C6 C7 gi_1
7181 C11 C12 C16 C7 gi_1
7182 C11 C12 C13 C14 gi_1
7183 C11 C16 C15 C14 gi_1
7184 C12 C13 C14 C15 gi_1
7185 C12 C11 C16 C15 gi_1
7186 C16 C15 C14 C13 gi_1
7187 C16 C11 C12 C13 gi_1
7188 C13 C12 O13 C14 gi_1
7189 C15 C16 O15 C14 gi_1
7190 C14 C13 O14 C15 gi_1
7191 [ dihedrals ]
7192 ; ai aj ak al gromos type
7193 N1 C2 NA2 HA21 gd_4
7194 C5 C4 NA4 HA41 gd_4
7195 C4 C5 C7 C11 gd_20
7196 C5 C7 C11 C12 gd_20
7197 C12 C13 O13 CM13 gd_2
7198 C12 C13 O13 CM13 gd_3
7199 C16 C15 O15 CM15 gd_2
7200 C16 C15 O15 CM15 gd_3
7201 C13 C14 O14 CM14 gd_2
7202 [ TMPHP ]
7203 [ atoms ]
7204 N1 NR -0.360 0
7205 HA1 H 0.360 0
7206 C2 C 0.000 0
7207 NA2 NT -0.830 1
7208 HA21 H 0.415 1
7209 HA22 H 0.415 1
7210 N3 NR -0.360 2
7211 C4 C 0.360 2
7212 NA4 NT -0.830 3
7213 HA41 H 0.415 3
7214 HA42 H 0.415 3
7215 C5 C 0.000 4
7216 C6 CR1 0.000 4
7217 C7 CH2 0.000 4
7218 C11 C 0.000 5
7219 C12 CR1 0.000 5
7220 C16 CR1 0.000 5
7221 C13 C 0.180 6
7222 O13 OA -0.360 6
7223 CM13 CH3 0.180 6
7224 C15 C 0.180 7
7225 O15 OA -0.360 7
7226 CM15 CH3 0.180 7
7227 C14 C 0.180 8
7228 O14 OA -0.360 8
7229 CM14 CH3 0.180 8
7230 [ bonds ]
7231 N1 HA1 gb_2
7232 N1 C2 gb_16
7233 N1 C6 gb_16
7234 C2 NA2 gb_8
7235 C2 N3 gb_11
7236 NA2 HA21 gb_2
7237 NA2 HA22 gb_2
7238 N3 C4 gb_11
7239 C4 NA4 gb_8
7240 C4 C5 gb_15
7241 NA4 HA41 gb_2
7242 NA4 HA42 gb_2
7243 C5 C6 gb_15
7244 C5 C7 gb_26
7245 C7 C11 gb_26
7246 C11 C12 gb_15
7247 C11 C16 gb_15
7248 C12 C13 gb_15
7249 C16 C15 gb_15
7250 C13 O13 gb_12
7251 C13 C14 gb_15
7252 O13 CM13 gb_1
7253 C15 O15 gb_12
7254 C15 C14 gb_15
7255 O15 CM15 gb_1
7256 C14 O14 gb_12
7257 O14 CM14 gb_1
7258 [ angles ]
7259 ; ai aj ak gromos type
7260 HA1 N1 C2 ga_24
7261 HA1 N1 C6 ga_24
7262 C2 N1 C6 ga_26
7263 N1 C2 NA2 ga_26
7264 N1 C2 N3 ga_26
7265 NA2 C2 N3 ga_26
7266 C2 NA2 HA21 ga_22
7267 C2 NA2 HA22 ga_22
7268 HA21 NA2 HA22 ga_23
7269 C2 N3 C4 ga_26
7270 N3 C4 NA4 ga_26
7271 N3 C4 C5 ga_26
7272 NA4 C4 C5 ga_26
7273 C4 NA4 HA41 ga_22
7274 C4 NA4 HA42 ga_22
7275 HA41 NA4 HA42 ga_23
7276 C4 C5 C6 ga_26
7277 C4 C5 C7 ga_26
7278 C6 C5 C7 ga_26
7279 N1 C6 C5 ga_26
7280 C5 C7 C11 ga_14
7281 C7 C11 C12 ga_26
7282 C7 C11 C16 ga_26
7283 C12 C11 C16 ga_26
7284 C11 C12 C13 ga_26
7285 C11 C16 C15 ga_26
7286 C12 C13 O13 ga_26
7287 C12 C13 C14 ga_26
7288 O13 C13 C14 ga_26
7289 C13 O13 CM13 ga_19
7290 C16 C15 O15 ga_26
7291 C16 C15 C14 ga_26
7292 O15 C15 C14 ga_26
7293 C15 O15 CM15 ga_19
7294 C13 C14 C15 ga_26
7295 C13 C14 O14 ga_26
7296 C15 C14 O14 ga_26
7297 C14 O14 CM14 ga_19
7298 [ impropers ]
7299 ; ai aj ak al gromos type
7300 N1 C2 C6 HA1 gi_1
7301 C2 N1 N3 NA2 gi_1
7302 NA2 HA21 HA22 C2 gi_1
7303 C4 N3 C5 NA4 gi_1
7304 NA4 HA41 HA42 C4 gi_1
7305 N1 C2 N3 C4 gi_1
7306 C2 N3 C4 C5 gi_1
7307 N3 C4 C5 C6 gi_1
7308 C4 C5 C6 N1 gi_1
7309 C5 C6 N1 C2 gi_1
7310 C6 N1 C2 N3 gi_1
7311 C5 C4 C6 C7 gi_1
7312 C11 C12 C16 C7 gi_1
7313 C11 C12 C13 C14 gi_1
7314 C11 C16 C15 C14 gi_1
7315 C12 C13 C14 C15 gi_1
7316 C12 C11 C16 C15 gi_1
7317 C16 C15 C14 C13 gi_1
7318 C16 C11 C12 C13 gi_1
7319 C13 C12 O13 C14 gi_1
7320 C15 C16 O15 C14 gi_1
7321 C14 C13 O14 C15 gi_1
7322 [ dihedrals ]
7323 ; ai aj ak al gromos type
7324 N1 C2 NA2 HA21 gd_4
7325 C5 C4 NA4 HA41 gd_4
7326 C4 C5 C7 C11 gd_20
7327 C5 C7 C11 C12 gd_20
7328 C12 C13 O13 CM13 gd_2
7329 C12 C13 O13 CM13 gd_3
7330 C16 C15 O15 CM15 gd_2
7331 C16 C15 O15 CM15 gd_3
7332 C13 C14 O14 CM14 gd_2
7333 [ PDG ]
7334 [ atoms ]
7335 P P 1.080 0
7336 O1P OM -0.360 0
7337 O2P OM -0.360 0
7338 O3P OA -0.548 0
7339 H3P H 0.398 0
7340 O4P OA -0.360 0
7341 C1 CH2 0.150 0
7342 C2 CH1 0.150 1
7343 O2 OA -0.548 1
7344 H2 H 0.398 1
7345 C3 C 0.720 2
7346 OT1 OM -0.360 2
7347 OT2 OM -0.360 2
7348 [ bonds ]
7349 P O1P gb_23
7350 P O2P gb_23
7351 P O3P gb_27
7352 P O4P gb_27
7353 O3P H3P gb_1
7354 O4P C1 gb_17
7355 C1 C2 gb_26
7356 C2 O2 gb_17
7357 C2 C3 gb_26
7358 O2 H2 gb_1
7359 C3 OT1 gb_5
7360 C3 OT2 gb_5
7361 [ angles ]
7362 ; ai aj ak gromos type
7363 O1P P O2P ga_28
7364 O1P P O3P ga_13
7365 O1P P O4P ga_13
7366 O2P P O3P ga_13
7367 O2P P O4P ga_13
7368 O3P P O4P ga_4
7369 P O3P H3P ga_11
7370 P O4P C1 ga_25
7371 O4P C1 C2 ga_14
7372 C1 C2 O2 ga_14
7373 C1 C2 C3 ga_12
7374 O2 C2 C3 ga_12
7375 C2 O2 H2 ga_11
7376 C2 C3 OT1 ga_21
7377 C2 C3 OT2 ga_21
7378 OT1 C3 OT2 ga_37
7379 [ impropers ]
7380 ; ai aj ak al gromos type
7381 C2 C1 C3 O2 gi_2
7382 C3 C2 OT2 OT1 gi_1
7383 [ dihedrals ]
7384 ; ai aj ak al gromos type
7385 O4P P O3P H3P gd_11
7386 O4P P O3P H3P gd_9
7387 O3P P O4P C1 gd_11
7388 O3P P O4P C1 gd_9
7389 P O4P C1 C2 gd_14
7390 O4P C1 C2 C3 gd_17
7391 C1 C2 O2 H2 gd_12
7392 C1 C2 C3 OT1 gd_20
7393 [ ATP ]
7394 [ atoms ]
7395 AN9 NR -0.200 0
7396 AC4 C 0.200 0
7397 AN3 NR -0.360 1
7398 AC2 CR1 0.360 1
7399 AN1 NR -0.360 2
7400 AC6 C 0.360 2
7401 AN6 NT -0.830 3
7402 AH61 H 0.415 3
7403 AH62 H 0.415 3
7404 AC5 C 0.000 4
7405 AN7 NR -0.360 4
7406 AC8 CR1 0.360 4
7407 AC1* CH1 0.200 5
7408 AO4* OA -0.360 5
7409 AC4* CH1 0.160 5
7410 AC2* CH1 0.150 6
7411 AO2* OA -0.548 6
7412 AH2* H 0.398 6
7413 AC3* CH1 0.150 7
7414 AO3* OA -0.548 7
7415 AH3* H 0.398 7
7416 AC5* CH2 0.000 8
7417 AO5* OA -0.360 9
7418 APA P 1.155 9
7419 AO1PA OM -0.360 9
7420 AO2PA OM -0.360 9
7421 AO3PA OA -0.360 10
7422 APB P 1.155 10
7423 AO1PB OM -0.360 10
7424 AO2PB OM -0.360 10
7425 AO3PB OA -0.360 11
7426 APG P 1.080 11
7427 AO1PG OM -0.360 11
7428 AO2PG OM -0.360 11
7429 AO3PG OA -0.548 11
7430 AH3PG H 0.398 11
7431 [ bonds ]
7432 AN9 AC4 gb_9
7433 AN9 AC8 gb_9
7434 AN9 AC1* gb_21
7435 AC4 AN3 gb_11
7436 AC4 AC5 gb_15
7437 AN3 AC2 gb_6
7438 AC2 AN1 gb_6
7439 AN1 AC6 gb_11
7440 AC6 AN6 gb_8
7441 AC6 AC5 gb_15
7442 AN6 AH61 gb_2
7443 AN6 AH62 gb_2
7444 AC5 AN7 gb_9
7445 AN7 AC8 gb_9
7446 AC1* AO4* gb_19
7447 AC1* AC2* gb_25
7448 AO4* AC4* gb_19
7449 AC4* AC3* gb_25
7450 AC4* AC5* gb_25
7451 AC2* AO2* gb_19
7452 AC2* AC3* gb_25
7453 AO2* AH2* gb_1
7454 AC3* AO3* gb_19
7455 AO3* AH3* gb_1
7456 AC5* AO5* gb_19
7457 AO5* APA gb_27
7458 APA AO1PA gb_23
7459 APA AO2PA gb_23
7460 APA AO3PA gb_27
7461 AO3PA APB gb_27
7462 APB AO1PB gb_23
7463 APB AO2PB gb_23
7464 APB AO3PB gb_27
7465 AO3PB APG gb_27
7466 APG AO1PG gb_23
7467 APG AO2PG gb_23
7468 APG AO3PG gb_27
7469 AO3PG AH3PG gb_1
7470 [ angles ]
7471 ; ai aj ak gromos type
7472 AC4 AN9 AC8 ga_6
7473 AC4 AN9 AC1* ga_36
7474 AC8 AN9 AC1* ga_36
7475 AN9 AC4 AN3 ga_38
7476 AN9 AC4 AC5 ga_6
7477 AN3 AC4 AC5 ga_26
7478 AC4 AN3 AC2 ga_26
7479 AN3 AC2 AN1 ga_26
7480 AC2 AN1 AC6 ga_26
7481 AN1 AC6 AN6 ga_26
7482 AN1 AC6 AC5 ga_26
7483 AN6 AC6 AC5 ga_26
7484 AC6 AN6 AH61 ga_22
7485 AC6 AN6 AH62 ga_22
7486 AH61 AN6 AH62 ga_23
7487 AC4 AC5 AC6 ga_26
7488 AC4 AC5 AN7 ga_6
7489 AC6 AC5 AN7 ga_38
7490 AC5 AN7 AC8 ga_6
7491 AN9 AC8 AN7 ga_6
7492 AN9 AC1* AO4* ga_8
7493 AN9 AC1* AC2* ga_8
7494 AO4* AC1* AC2* ga_8
7495 AC1* AO4* AC4* ga_9
7496 AO4* AC4* AC3* ga_8
7497 AO4* AC4* AC5* ga_8
7498 AC3* AC4* AC5* ga_7
7499 AC1* AC2* AO2* ga_8
7500 AC1* AC2* AC3* ga_7
7501 AO2* AC2* AC3* ga_8
7502 AC2* AO2* AH2* ga_11
7503 AC4* AC3* AC2* ga_7
7504 AC4* AC3* AO3* ga_8
7505 AC2* AC3* AO3* ga_8
7506 AC3* AO3* AH3* ga_11
7507 AC4* AC5* AO5* ga_8
7508 AC5* AO5* APA ga_25
7509 AO5* APA AO1PA ga_13
7510 AO5* APA AO2PA ga_13
7511 AO5* APA AO3PA ga_4
7512 AO1PA APA AO2PA ga_28
7513 AO1PA APA AO3PA ga_13
7514 AO2PA APA AO3PA ga_13
7515 APA AO3PA APB ga_25
7516 AO3PA APB AO1PB ga_13
7517 AO3PA APB AO2PB ga_13
7518 AO3PA APB AO3PB ga_4
7519 AO1PB APB AO2PB ga_28
7520 AO1PB APB AO3PB ga_13
7521 AO2PB APB AO3PB ga_13
7522 APB AO3PB APG ga_25
7523 AO3PB APG AO1PG ga_13
7524 AO3PB APG AO2PG ga_13
7525 AO3PB APG AO3PG ga_4
7526 AO1PG APG AO2PG ga_28
7527 AO1PG APG AO3PG ga_13
7528 AO2PG APG AO3PG ga_13
7529 APG AO3PG AH3PG ga_11
7530 [ impropers ]
7531 ; ai aj ak al gromos type
7532 AN9 AC8 AC4 AC1* gi_1
7533 AC4 AN9 AC8 AN7 gi_1
7534 AC8 AN9 AC4 AC5 gi_1
7535 AN9 AC8 AN7 AC5 gi_1
7536 AN9 AC4 AC5 AN7 gi_1
7537 AC8 AN7 AC5 AC4 gi_1
7538 AC4 AN9 AN3 AC5 gi_1
7539 AC5 AC6 AN7 AC4 gi_1
7540 AN3 AC4 AC5 AC6 gi_1
7541 AC4 AC5 AC6 AN1 gi_1
7542 AC5 AC4 AN3 AC2 gi_1
7543 AC5 AC6 AN1 AC2 gi_1
7544 AC4 AN3 AC2 AN1 gi_1
7545 AN3 AC2 AN1 AC6 gi_1
7546 AC6 AC5 AN1 AN6 gi_1
7547 AN6 AH61 AH62 AC6 gi_1
7548 AC1* AN9 AO4* AC2* gi_2
7549 AC4* AO4* AC5* AC3* gi_2
7550 AC2* AO2* AC3* AC1* gi_2
7551 AC3* AC2* AO3* AC4* gi_2
7552 [ dihedrals ]
7553 ; ai aj ak al gromos type
7554 AC5 AC6 AN6 AH61 gd_4
7555 AO4* AC1* AN9 AC4 gd_6
7556 AC1* AC2* AO2* AH2* gd_12
7557 AC4* AC3* AO3* AH3* gd_12
7558 AC4* AO4* AC1* AC2* gd_14
7559 AC3* AC4* AO4* AC1* gd_14
7560 AC3* AC2* AC1* AO4* gd_17
7561 AC3* AC2* AC1* AO4* gd_7
7562 AO2* AC2* AC1* AN9 gd_7
7563 AO2* AC2* AC1* AO4* gd_8
7564 AC4* AC3* AC2* AC1* gd_17
7565 AO3* AC3* AC2* AC1* gd_7
7566 AC4* AC3* AC2* AO2* gd_7
7567 AO3* AC3* AC2* AO2* gd_8
7568 AC5* AC4* AC3* AC2* gd_17
7569 AC5* AC4* AC3* AO3* gd_7
7570 AO4* AC4* AC3* AC2* gd_7
7571 AO4* AC4* AC3* AO3* gd_8
7572 AO5* AC5* AC4* AC3* gd_17
7573 AO5* AC5* AC4* AC3* gd_7
7574 AO5* AC5* AC4* AO4* gd_8
7575 AC4* AC5* AO5* APA gd_14
7576 AC5* AO5* APA AO3PA gd_11
7577 AC5* AO5* APA AO3PA gd_9
7578 AO5* APA AO3PA APB gd_11
7579 AO5* APA AO3PA APB gd_9
7580 APA AO3PA APB AO3PB gd_11
7581 APA AO3PA APB AO3PB gd_9
7582 AO3PA APB AO3PB APG gd_11
7583 AO3PA APB AO3PB APG gd_9
7584 APB AO3PB APG AO3PG gd_11
7585 APB AO3PB APG AO3PG gd_9
7586 AO3PB APG AO3PG AH3PG gd_11
7587 AO3PB APG AO3PG AH3PG gd_9
7588 [ PMB ]
7589 [ atoms ]
7590 PC8 CH3 0.000 0
7591 PC5 C 0.000 0
7592 PC4 CR1 0.000 0
7593 PC6 CR1 0.000 0
7594 PC3 CR1 0.000 1
7595 PC7 CR1 0.000 1
7596 PC2 C 0.000 1
7597 PC1 C 0.500 2
7598 PO OM -0.300 2
7599 PHC1 HC -0.100 2
7600 PHC2 HC -0.100 2
7601 [ bonds ]
7602 PC8 PC5 gb_26
7603 PC5 PC4 gb_15
7604 PC5 PC6 gb_15
7605 PC4 PC3 gb_15
7606 PC6 PC7 gb_15
7607 PC3 PC2 gb_15
7608 PC7 PC2 gb_15
7609 PC2 PC1 gb_26
7610 PC1 PO gb_18
7611 PC1 PHC1 gb_3
7612 PC1 PHC2 gb_3
7613 [ angles ]
7614 ; ai aj ak gromos type
7615 PC8 PC5 PC4 ga_26
7616 PC8 PC5 PC6 ga_26
7617 PC4 PC5 PC6 ga_26
7618 PC5 PC4 PC3 ga_26
7619 PC5 PC6 PC7 ga_26
7620 PC4 PC3 PC2 ga_26
7621 PC6 PC7 PC2 ga_26
7622 PC3 PC2 PC7 ga_26
7623 PC3 PC2 PC1 ga_26
7624 PC7 PC2 PC1 ga_26
7625 PC2 PC1 PO ga_12
7626 PC2 PC1 PHC1 ga_10
7627 PC2 PC1 PHC2 ga_10
7628 PO PC1 PHC1 ga_10
7629 PO PC1 PHC2 ga_10
7630 PHC1 PC1 PHC2 ga_9
7631 [ impropers ]
7632 ; ai aj ak al gromos type
7633 PC5 PC4 PC6 PC8 gi_1
7634 PC6 PC5 PC4 PC3 gi_1
7635 PC4 PC5 PC6 PC7 gi_1
7636 PC5 PC4 PC3 PC2 gi_1
7637 PC5 PC6 PC7 PC2 gi_1
7638 PC4 PC3 PC2 PC7 gi_1
7639 PC6 PC7 PC2 PC3 gi_1
7640 PC2 PC3 PC7 PC1 gi_1
7641 [ dihedrals ]
7642 ; ai aj ak al gromos type
7643 PC3 PC2 PC1 PO gd_20
7644 [ PMBH ]
7645 [ atoms ]
7646 PC8 CH3 0.000 0
7647 PC5 C 0.000 0
7648 PC4 CR1 0.000 0
7649 PC6 CR1 0.000 0
7650 PC3 CR1 0.000 1
7651 PC7 CR1 0.000 1
7652 PC2 C 0.000 1
7653 PC1 C -0.050 2
7654 PO OA -0.548 2
7655 PH H 0.398 2
7656 PHC1 HC 0.100 2
7657 PHC2 HC 0.100 2
7658 [ bonds ]
7659 PC8 PC5 gb_26
7660 PC5 PC4 gb_15
7661 PC5 PC6 gb_15
7662 PC4 PC3 gb_15
7663 PC6 PC7 gb_15
7664 PC3 PC2 gb_15
7665 PC7 PC2 gb_15
7666 PC2 PC1 gb_26
7667 PC1 PO gb_12
7668 PO PH gb_1
7669 PC1 PHC1 gb_3
7670 PC1 PHC2 gb_3
7671 [ angles ]
7672 ; ai aj ak gromos type
7673 PC8 PC5 PC4 ga_26
7674 PC8 PC5 PC6 ga_26
7675 PC4 PC5 PC6 ga_26
7676 PC5 PC4 PC3 ga_26
7677 PC5 PC6 PC7 ga_26
7678 PC4 PC3 PC2 ga_26
7679 PC6 PC7 PC2 ga_26
7680 PC3 PC2 PC7 ga_26
7681 PC3 PC2 PC1 ga_26
7682 PC7 PC2 PC1 ga_26
7683 PC2 PC1 PO ga_12
7684 PC1 PO PH ga_11
7685 PC2 PC1 PHC1 ga_10
7686 PC2 PC1 PHC2 ga_10
7687 PO PC1 PHC1 ga_10
7688 PO PC1 PHC2 ga_10
7689 PHC1 PC1 PHC2 ga_9
7690 [ impropers ]
7691 ; ai aj ak al gromos type
7692 PC5 PC4 PC6 PC8 gi_1
7693 PC6 PC5 PC4 PC3 gi_1
7694 PC4 PC5 PC6 PC7 gi_1
7695 PC5 PC4 PC3 PC2 gi_1
7696 PC5 PC6 PC7 PC2 gi_1
7697 PC4 PC3 PC2 PC7 gi_1
7698 PC6 PC7 PC2 PC3 gi_1
7699 PC2 PC3 PC7 PC1 gi_1
7700 [ dihedrals ]
7701 ; ai aj ak al gromos type
7702 PC3 PC2 PC1 PO gd_20
7703 PC2 PC1 PO PH gd_12
7704 [ BA ]
7705 [ atoms ]
7706 C3 C -0.100 0
7707 H3 HC 0.100 0
7708 C2 C -0.100 1
7709 H2 HC 0.100 1
7710 C4 C -0.100 2
7711 H4 HC 0.100 2
7712 C1 C -0.100 3
7713 H1 HC 0.100 3
7714 C5 C -0.100 4
7715 H5 HC 0.100 4
7716 C6 C 0.000 5
7717 C7 C 0.530 6
7718 O8 O -0.380 6
7719 O9 OA -0.548 6
7720 H9 H 0.398 6
7721 [ bonds ]
7722 C3 H3 gb_3
7723 C3 C2 gb_15
7724 C3 C4 gb_15
7725 C2 H2 gb_3
7726 C2 C1 gb_15
7727 C4 H4 gb_3
7728 C4 C5 gb_15
7729 C1 H1 gb_3
7730 C1 C6 gb_15
7731 C5 H5 gb_3
7732 C5 C6 gb_15
7733 C6 C7 gb_22
7734 C7 O8 gb_4
7735 C7 O9 gb_12
7736 O9 H9 gb_1
7737 [ angles ]
7738 ; ai aj ak gromos type
7739 H3 C3 C2 ga_24
7740 H3 C3 C4 ga_24
7741 C2 C3 C4 ga_26
7742 C3 C2 H2 ga_24
7743 C3 C2 C1 ga_26
7744 H2 C2 C1 ga_24
7745 C3 C4 H4 ga_24
7746 C3 C4 C5 ga_26
7747 H4 C4 C5 ga_24
7748 C2 C1 H1 ga_24
7749 C2 C1 C6 ga_26
7750 H1 C1 C6 ga_24
7751 C4 C5 H5 ga_24
7752 C4 C5 C6 ga_26
7753 H5 C5 C6 ga_24
7754 C1 C6 C5 ga_26
7755 C1 C6 C7 ga_26
7756 C5 C6 C7 ga_26
7757 C6 C7 O8 ga_29
7758 C6 C7 O9 ga_18
7759 O8 C7 O9 ga_32
7760 C7 O9 H9 ga_11
7761 [ impropers ]
7762 ; ai aj ak al gromos type
7763 C3 C2 C4 H3 gi_1
7764 C2 C1 C3 H2 gi_1
7765 C4 C5 C3 H4 gi_1
7766 C1 C2 C6 H1 gi_1
7767 C5 C4 C6 H5 gi_1
7768 C3 C2 C1 C6 gi_1
7769 C3 C4 C5 C6 gi_1
7770 C2 C3 C4 C5 gi_1
7771 C4 C3 C2 C1 gi_1
7772 C2 C1 C6 C5 gi_1
7773 C4 C5 C6 C1 gi_1
7774 C6 C1 C5 C7 gi_1
7775 C7 O8 O9 C6 gi_1
7776 [ dihedrals ]
7777 ; ai aj ak al gromos type
7778 C1 C6 C7 O9 gd_1
7779 C6 C7 O9 H9 gd_3
7780 [ RTOL ]
7781 [ atoms ]
7782 C18 CH3 0.000 0
7783 C17 CH3 0.000 0
7784 C1 C 0.000 0
7785 C2 CH2 0.000 1
7786 C3 CH2 0.000 1
7787 C4 CH2 0.000 1
7788 C5 C 0.000 2
7789 C16 CH3 0.000 2
7790 C6 C 0.000 2
7791 C7 CR1 0.000 3
7792 C8 CR1 0.000 3
7793 C9 C 0.000 4
7794 C19 CH3 0.000 4
7795 C10 CR1 0.000 4
7796 C11 CR1 0.000 5
7797 C12 CR1 0.000 5
7798 C13 C 0.000 6
7799 C20 CH3 0.000 6
7800 C14 CR1 0.000 6
7801 C15 CH2 0.150 7
7802 O21 OA -0.548 7
7803 H21 H 0.398 7
7804 [ bonds ]
7805 C18 C1 gb_26
7806 C17 C1 gb_26
7807 C1 C2 gb_26
7808 C1 C6 gb_26
7809 C2 C3 gb_26
7810 C3 C4 gb_26
7811 C4 C5 gb_26
7812 C5 C16 gb_26
7813 C5 C6 gb_9
7814 C6 C7 gb_22
7815 C7 C8 gb_12
7816 C8 C9 gb_22
7817 C9 C19 gb_26
7818 C9 C10 gb_12
7819 C10 C11 gb_22
7820 C11 C12 gb_12
7821 C12 C13 gb_22
7822 C13 C20 gb_26
7823 C13 C14 gb_12
7824 C14 C15 gb_22
7825 C15 O21 gb_17
7826 O21 H21 gb_1
7827 [ angles ]
7828 ; ai aj ak gromos type
7829 C18 C1 C17 ga_12
7830 C18 C1 C2 ga_12
7831 C18 C1 C6 ga_12
7832 C17 C1 C2 ga_12
7833 C17 C1 C6 ga_12
7834 C2 C1 C6 ga_12
7835 C1 C2 C3 ga_12
7836 C2 C3 C4 ga_12
7837 C3 C4 C5 ga_12
7838 C4 C5 C16 ga_26
7839 C4 C5 C6 ga_26
7840 C16 C5 C6 ga_26
7841 C1 C6 C5 ga_26
7842 C1 C6 C7 ga_26
7843 C5 C6 C7 ga_26
7844 C6 C7 C8 ga_26
7845 C7 C8 C9 ga_26
7846 C8 C9 C19 ga_26
7847 C8 C9 C10 ga_26
7848 C19 C9 C10 ga_26
7849 C9 C10 C11 ga_26
7850 C10 C11 C12 ga_26
7851 C11 C12 C13 ga_26
7852 C12 C13 C20 ga_26
7853 C12 C13 C14 ga_26
7854 C20 C13 C14 ga_26
7855 C13 C14 C15 ga_26
7856 C14 C15 O21 ga_12
7857 C15 O21 H21 ga_11
7858 [ impropers ]
7859 ; ai aj ak al gromos type
7860 C5 C4 C6 C16 gi_1
7861 C6 C1 C7 C5 gi_1
7862 C9 C8 C10 C19 gi_1
7863 C13 C12 C14 C20 gi_1
7864 [ dihedrals ]
7865 ; ai aj ak al gromos type
7866 C1 C2 C3 C4 gd_17
7867 C6 C1 C2 C3 gd_17
7868 C2 C3 C4 C5 gd_17
7869 C2 C1 C6 C5 gd_17
7870 C3 C4 C5 C6 gd_17
7871 C4 C5 C6 C1 gd_4
7872 C5 C6 C7 C8 gd_17
7873 C6 C7 C8 C9 gd_4
7874 C7 C8 C9 C10 gd_3
7875 C8 C9 C10 C11 gd_4
7876 C9 C10 C11 C12 gd_3
7877 C10 C11 C12 C13 gd_4
7878 C11 C12 C13 C14 gd_3
7879 C12 C13 C14 C15 gd_4
7880 C13 C14 C15 O21 gd_20
7881 C14 C15 O21 H21 gd_12
7882 [ TEMP ]
7883 [ atoms ]
7884 O1 O -0.200 0
7885 N1 NR -0.036 0
7886 C1 C 0.118 0
7887 C4 C 0.118 0
7888 CA C 0.000 1
7889 C3 CR1 0.000 1
7890 C6 CH3 0.000 2
7891 C7 CH3 0.000 3
7892 C8 CH3 0.000 4
7893 C9 CH3 0.000 5
7894 C5 C 0.380 6
7895 O5 O -0.380 6
7896 [ bonds ]
7897 O1 N1 gb_5
7898 N1 C1 gb_21
7899 N1 C4 gb_21
7900 C1 CA gb_24
7901 C1 C6 gb_25
7902 C1 C7 gb_25
7903 C4 C3 gb_24
7904 C4 C8 gb_25
7905 C4 C9 gb_25
7906 CA C3 gb_6
7907 CA C5 gb_22
7908 C5 O5 gb_4
7909 C5 +N gb_9
7910 [ angles ]
7911 ; ai aj ak gromos type
7912 O1 N1 C1 ga_30
7913 O1 N1 C4 ga_30
7914 C1 N1 C4 ga_18
7915 N1 C1 CA ga_2
7916 N1 C1 C6 ga_12
7917 N1 C1 C7 ga_12
7918 CA C1 C6 ga_15
7919 CA C1 C7 ga_15
7920 C6 C1 C7 ga_14
7921 C1 CA C3 ga_15
7922 C1 CA C5 ga_30
7923 C3 CA C5 ga_34
7924 CA C3 C4 ga_15
7925 N1 C4 C3 ga_2
7926 N1 C4 C8 ga_12
7927 N1 C4 C9 ga_12
7928 C3 C4 C8 ga_15
7929 C3 C4 C9 ga_15
7930 C8 C4 C9 ga_14
7931 CA C5 O5 ga_29
7932 CA C5 +N ga_18
7933 O5 C5 +N ga_32
7934 [ impropers ]
7935 ; ai aj ak al gromos type
7936 N1 C1 C4 O1 gi_1
7937 N1 C1 CA C3 gi_1
7938 C1 CA C3 C4 gi_1
7939 CA C3 C4 N1 gi_1
7940 C3 C4 N1 C1 gi_1
7941 C4 N1 C1 CA gi_1
7942 CA C1 C3 C5 gi_1
7943 C5 CA +N O5 gi_1
7944 [ dihedrals ]
7945 ; ai aj ak al gromos type
7946 C3 CA C5 +N gd_4
7947 [ ETH ]
7948 [ atoms ]
7949 EO OM -0.360 0
7950 EC1 CH2 0.360 0
7951 EC2 CH3 0.000 0
7952 [ bonds ]
7953 EO EC1 gb_18
7954 EC1 EC2 gb_26
7955 [ angles ]
7956 ; ai aj ak gromos type
7957 EO EC1 EC2 ga_12
7958 [ impropers ]
7959 ; ai aj ak al gromos type
7960 [ dihedrals ]
7961 ; ai aj ak al gromos type
7962 [ ETHH ]
7963 [ atoms ]
7964 EH H 0.398 0
7965 EO OA -0.548 0
7966 EC1 CH2 0.150 0
7967 EC2 CH3 0.000 1
7968 [ bonds ]
7969 EH EO gb_1
7970 EO EC1 gb_17
7971 EC1 EC2 gb_26
7972 [ angles ]
7973 ; ai aj ak gromos type
7974 EH EO EC1 ga_11
7975 EO EC1 EC2 ga_14
7976 [ impropers ]
7977 ; ai aj ak al gromos type
7978 [ dihedrals ]
7979 ; ai aj ak al gromos type
7980 EH EO EC1 EC2 gd_12
7981 [ CH4 ]
7982 [ atoms ]
7983 CM CH4 0.000 0
7984 [ bonds ]
7985 [ angles ]
7986 ; ai aj ak gromos type
7987 [ impropers ]
7988 ; ai aj ak al gromos type
7989 [ dihedrals ]
7990 ; ai aj ak al gromos type
7991 [ AR ]
7992 [ atoms ]
7993 AR AR 0.000 0
7994 [ bonds ]
7995 [ angles ]
7996 ; ai aj ak gromos type
7997 [ impropers ]
7998 ; ai aj ak al gromos type
7999 [ dihedrals ]
8000 ; ai aj ak al gromos type
8001 [ SO42- ]
8002 [ atoms ]
8003 IS S 1.440 0
8004 IO1 OM -0.360 0
8005 IO2 OM -0.360 0
8006 IO3 OM -0.360 0
8007 IO4 OM -0.360 0
8008 [ bonds ]
8009 IS IO1 gb_24
8010 IS IO2 gb_24
8011 IS IO3 gb_24
8012 IS IO4 gb_24
8013 [ angles ]
8014 ; ai aj ak gromos type
8015 IO1 IS IO2 ga_12
8016 IO1 IS IO3 ga_12
8017 IO1 IS IO4 ga_12
8018 IO2 IS IO3 ga_12
8019 IO2 IS IO4 ga_12
8020 IO3 IS IO4 ga_12
8021 [ impropers ]
8022 ; ai aj ak al gromos type
8023 [ dihedrals ]
8024 ; ai aj ak al gromos type
8025 [ ZN2+ ]
8026 [ atoms ]
8027 ZN ZN2+ 2.000 0
8028 [ bonds ]
8029 [ angles ]
8030 ; ai aj ak gromos type
8031 [ impropers ]
8032 ; ai aj ak al gromos type
8033 [ dihedrals ]
8034 ; ai aj ak al gromos type
8035 [ NA+ ]
8036 [ atoms ]
8037 NA NA+ 1.000 0
8038 [ bonds ]
8039 [ angles ]
8040 ; ai aj ak gromos type
8041 [ impropers ]
8042 ; ai aj ak al gromos type
8043 [ dihedrals ]
8044 ; ai aj ak al gromos type
8045 [ CL- ]
8046 [ atoms ]
8047 CL CL- -1.000 0
8048 [ bonds ]
8049 [ angles ]
8050 ; ai aj ak gromos type
8051 [ impropers ]
8052 ; ai aj ak al gromos type
8053 [ dihedrals ]
8054 ; ai aj ak al gromos type
8055 [ CA2+ ]
8056 [ atoms ]
8057 CA CA2+ 2.000 0
8058 [ bonds ]
8059 [ angles ]
8060 ; ai aj ak gromos type
8061 [ impropers ]
8062 ; ai aj ak al gromos type
8063 [ dihedrals ]
8064 ; ai aj ak al gromos type
8065 [ MG2+ ]
8066 [ atoms ]
8067 MG MG2+ 2.000 0
8068 [ bonds ]
8069 [ angles ]
8070 ; ai aj ak gromos type
8071 [ impropers ]
8072 ; ai aj ak al gromos type
8073 [ dihedrals ]
8074 ; ai aj ak al gromos type
8075 [ CU1+ ]
8076 [ atoms ]
8077 CU CU1+ 1.000 0
8078 [ bonds ]
8079 [ angles ]
8080 ; ai aj ak gromos type
8081 [ impropers ]
8082 ; ai aj ak al gromos type
8083 [ dihedrals ]
8084 ; ai aj ak al gromos type
8085 [ CU2+ ]
8086 [ atoms ]
8087 CU CU2+ 2.000 0
8088 [ bonds ]
8089 [ angles ]
8090 ; ai aj ak gromos type
8091 [ impropers ]
8092 ; ai aj ak al gromos type
8093 [ dihedrals ]
8094 ; ai aj ak al gromos type
8095 [ H2O ]
8096 [ atoms ]
8097 OW OW -0.820 0
8098 HW1 H 0.410 0
8099 HW2 H 0.410 0
8100 [ bonds ]
8101 OW HW1 gb_35
8102 OW HW2 gb_35
8103 HW1 HW2 gb_41
8104 [ angles ]
8105 ; ai aj ak gromos type
8106 [ impropers ]
8107 ; ai aj ak al gromos type
8108 [ dihedrals ]
8109 ; ai aj ak al gromos type
8110 [ HOH ]
8111 [ atoms ]
8112 OW OW -0.820 0
8113 HW1 H 0.410 0
8114 HW2 H 0.410 0
8115 [ bonds ]
8116 OW HW1 gb_35
8117 OW HW2 gb_35
8118 HW1 HW2 gb_41
8119 [ angles ]
8120 ; ai aj ak gromos type
8121 [ impropers ]
8122 ; ai aj ak al gromos type
8123 [ dihedrals ]
8124 ; ai aj ak al gromos type
8125 [ H2OE ]
8126 [ atoms ]
8127 OW OW -0.848 0
8128 HW1 H 0.424 0
8129 HW2 H 0.424 0
8130 [ bonds ]
8131 OW HW1 gb_35
8132 OW HW2 gb_35
8133 HW1 HW2 gb_41
8134 [ angles ]
8135 ; ai aj ak gromos type
8136 [ impropers ]
8137 ; ai aj ak al gromos type
8138 [ dihedrals ]
8139 ; ai aj ak al gromos type
8140 [ CHCL3 ]
8141 [ atoms ]
8142 CChl CCHL 0.179 0
8143 HChl HCHL 0.082 0
8144 CLCh1 CLCHL -0.087 0
8145 CLCh2 CLCHL -0.087 0
8146 CLCh3 CLCHL -0.087 0
8147 [ bonds ]
8148 CChl CLCh1 gb_37
8149 CChl CLCh2 gb_37
8150 CChl CLCh3 gb_37
8151 HChl CLCh1 gb_42
8152 HChl CLCh2 gb_42
8153 HChl CLCh3 gb_42
8154 CLCh1 CLCh2 gb_43
8155 CLCh1 CLCh3 gb_43
8156 CLCh2 CLCh3 gb_43
8157 [ angles ]
8158 ; ai aj ak gromos type
8159 [ impropers ]
8160 ; ai aj ak al gromos type
8161 [ dihedrals ]
8162 ; ai aj ak al gromos type
8163 [ DMSO ]
8164 [ atoms ]
8165 SDmso SDMSO 0.139 0
8166 ODmso ODMSO -0.459 0
8167 CDms1 CDMSO 0.160 0
8168 CDms2 CDMSO 0.160 0
8169 [ bonds ]
8170 SDmso ODmso gb_38
8171 SDmso CDms1 gb_39
8172 SDmso CDms2 gb_39
8173 ODmso CDms1 gb_44
8174 ODmso CDms2 gb_44
8175 CDms1 CDms2 gb_45
8176 [ angles ]
8177 ; ai aj ak gromos type
8178 [ impropers ]
8179 ; ai aj ak al gromos type
8180 [ dihedrals ]
8181 ; ai aj ak al gromos type
8182 [ CH3OH ]
8183 [ atoms ]
8184 Omet OMET -0.574 0
8185 HMet H 0.398 0
8186 CMet CMET 0.176 0
8187 [ bonds ]
8188 Omet HMet gb_1
8189 Omet CMet gb_17
8190 HMet CMet gb_46
8191 [ angles ]
8192 ; ai aj ak gromos type
8193 [ impropers ]
8194 ; ai aj ak al gromos type
8195 [ dihedrals ]
8196 ; ai aj ak al gromos type
8197 [ CCL4 ]
8198 [ atoms ]
8199 CCl4 CCL4 0.000 0
8200 CLCl1 CLCL4 0.000 0
8201 CLCl2 CLCL4 0.000 0
8202 CLCl3 CLCL4 0.000 0
8203 CLCl4 CLCL4 0.000 0
8204 [ bonds ]
8205 CCl4 CLCl1 gb_40
8206 CCl4 CLCl2 gb_40
8207 CCl4 CLCl3 gb_40
8208 CCl4 CLCl4 gb_40
8209 CLCl1 CLCl2 gb_47
8210 CLCl1 CLCl3 gb_47
8211 CLCl1 CLCl4 gb_47
8212 CLCl2 CLCl3 gb_47
8213 CLCl2 CLCl4 gb_47
8214 [ angles ]
8215 ; ai aj ak gromos type
8216 [ impropers ]
8217 ; ai aj ak al gromos type
8218 [ dihedrals ]
8219 ; ai aj ak al gromos type